Homec4science
Diffusion SCITAS examples on how to run on the clusters (master) Browse

scitas-examples/Modules/vasp/test/POTCAR
f5fa52c67f36master

Last Change
Raw File

POTCAR
View Options

US Al
3.00000000000000000
parameters from PSCTR are:
VRHFIN =Al: s2p1
LEXCH = 91
EATOM = 69.0519 eV, 5.0752 Ry
TITEL = US Al
LULTRA = T use ultrasoft PP ?
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 1.690 partial core radius
POMASS = 26.982; ZVAL = 3.000 mass and valenz
RCORE = 2.650 outmost cutoff radius
RWIGS = 2.650; RWIGS = 1.402 wigner-seitz radius (au A)
ENMAX = 129.208; ENMIN = 96.906 eV
EAUG = 209.989
ICORE = 2 local potential
LCOR = T correct aug charges
RMAX = 4.056 core radius for proj-oper
QCUT = -3.082; QGAM = 6.163 optimization parameters
Description
l E TYP RCUT TYP RCUT
0 .000 15 2.360 23 2.650
0 .000 15 2.360 23 2.650
1 .000 15 2.360 23 2.650
1 .000 15 2.360 23 2.650
2 .000 7 2.650 7 2.650
Error from kinetic energy argument (eV)
NDATA = 100
STEP = 20.000 1.050
2.66 2.29 2.12 1.82 1.68 1.44 1.23 1.14
.975 .834 .771 .660 .565 .484 .415 .356
.306 .263 .226 .180 .155 .134 .107 .921E-01
.794E-01 .636E-01 .509E-01 .438E-01 .349E-01 .277E-01 .219E-01 .172E-01
.134E-01 .104E-01 .800E-02 .611E-02 .421E-02 .317E-02 .217E-02 .164E-02
.117E-02 .886E-03 .728E-03 .650E-03 .613E-03 .593E-03 .573E-03 .535E-03
.493E-03 .428E-03 .357E-03 .303E-03 .243E-03 .198E-03 .163E-03 .146E-03
.137E-03 .130E-03 .122E-03 .111E-03 .966E-04 .814E-04 .677E-04 .559E-04
.496E-04 .457E-04 .431E-04 .401E-04 .352E-04 .302E-04 .249E-04 .212E-04
.191E-04 .180E-04 .166E-04 .148E-04 .125E-04 .105E-04 .916E-05 .854E-05
.792E-05 .700E-05 .593E-05 .501E-05 .453E-05 .423E-05 .380E-05 .320E-05
.273E-05 .250E-05 .231E-05 .203E-05 .169E-05 .151E-05 .141E-05 .124E-05
.104E-05 .938E-06 .864E-06 .753E-06
END of PSCTR-controll parameters
local part
69.9198615774201642
.2223920E+02 .2224486E+02 .2224931E+02 .2225674E+02 .2226713E+02
.2228049E+02 .2229683E+02 .2231615E+02 .2233846E+02 .2236377E+02
.2239209E+02 .2242345E+02 .2245787E+02 .2249535E+02 .2253592E+02
.2257958E+02 .2262635E+02 .2267622E+02 .2272917E+02 .2278518E+02
.2284420E+02 .2290617E+02 .2297101E+02 .2303864E+02 .2310893E+02
.2318176E+02 .2325697E+02 .2333439E+02 .2341382E+02 .2349504E+02
.2357781E+02 .2366188E+02 .2374696E+02 .2383273E+02 .2391887E+02
.2400503E+02 .2409082E+02 .2417585E+02 .2425971E+02 .2434194E+02
.2442209E+02 .2449969E+02 .2457425E+02 .2464525E+02 .2471219E+02
.2477454E+02 .2483176E+02 .2488333E+02 .2492869E+02 .2496731E+02
.2499865E+02 .2502219E+02 .2503740E+02 .2504376E+02 .2504079E+02
.2502799E+02 .2500492E+02 .2497112E+02 .2492619E+02 .2486973E+02
.2480139E+02 .2472084E+02 .2462779E+02 .2452197E+02 .2440318E+02
.2427124E+02 .2412600E+02 .2396739E+02 .2379534E+02 .2360987E+02
.2341101E+02 .2319885E+02 .2297353E+02 .2273523E+02 .2248420E+02
.2222070E+02 .2194505E+02 .2165764E+02 .2135886E+02 .2104917E+02
.2072906E+02 .2039907E+02 .2005977E+02 .1971176E+02 .1935567E+02
.1899217E+02 .1862194E+02 .1824572E+02 .1786422E+02 .1747820E+02
.1708843E+02 .1669568E+02 .1630074E+02 .1590440E+02 .1550745E+02
.1511068E+02 .1471486E+02 .1432076E+02 .1392915E+02 .1354077E+02
.1315633E+02 .1277655E+02 .1240209E+02 .1203360E+02 .1167171E+02
.1131700E+02 .1097001E+02 .1063127E+02 .1030125E+02 .9980373E+01
.9669047E+01 .9367619E+01 .9076396E+01 .8795643E+01 .8525577E+01
.8266373E+01 .8018160E+01 .7781024E+01 .7555006E+01 .7340104E+01
.7136274E+01 .6943431E+01 .6761451E+01 .6590172E+01 .6429394E+01
.6278884E+01 .6138377E+01 .6007577E+01 .5886159E+01 .5773774E+01
.5670049E+01 .5574592E+01 .5486990E+01 .5406819E+01 .5333638E+01
.5266999E+01 .5206445E+01 .5151517E+01 .5101750E+01 .5056684E+01
.5015857E+01 .4978816E+01 .4945114E+01 .4914315E+01 .4885993E+01
.4859736E+01 .4835150E+01 .4811856E+01 .4789493E+01 .4767723E+01
.4746226E+01 .4724706E+01 .4702889E+01 .4680526E+01 .4657391E+01
.4633282E+01 .4608023E+01 .4581462E+01 .4553470E+01 .4523945E+01
.4492805E+01 .4459994E+01 .4425476E+01 .4389239E+01 .4351289E+01
.4311652E+01 .4270372E+01 .4227512E+01 .4183148E+01 .4137370E+01
.4090283E+01 .4042002E+01 .3992651E+01 .3942364E+01 .3891280E+01
.3839545E+01 .3787307E+01 .3734716E+01 .3681927E+01 .3629089E+01
.3576352E+01 .3523864E+01 .3471767E+01 .3420198E+01 .3369289E+01
.3319162E+01 .3269934E+01 .3221711E+01 .3174591E+01 .3128661E+01
.3083999E+01 .3040670E+01 .2998731E+01 .2958225E+01 .2919186E+01
.2881636E+01 .2845586E+01 .2811038E+01 .2777981E+01 .2746398E+01
.2716257E+01 .2687524E+01 .2660150E+01 .2634083E+01 .2609263E+01
.2585623E+01 .2563091E+01 .2541590E+01 .2521041E+01 .2501359E+01
.2482460E+01 .2464256E+01 .2446660E+01 .2429586E+01 .2412946E+01
.2396658E+01 .2380638E+01 .2364807E+01 .2349091E+01 .2333419E+01
.2317723E+01 .2301943E+01 .2286024E+01 .2269915E+01 .2253572E+01
.2236960E+01 .2220046E+01 .2202806E+01 .2185224E+01 .2167287E+01
.2148992E+01 .2130340E+01 .2111338E+01 .2092001E+01 .2072348E+01
.2052403E+01 .2032194E+01 .2011756E+01 .1991126E+01 .1970345E+01
.1949457E+01 .1928507E+01 .1907545E+01 .1886620E+01 .1865782E+01
.1845082E+01 .1824571E+01 .1804300E+01 .1784317E+01 .1764669E+01
.1745402E+01 .1726558E+01 .1708179E+01 .1690299E+01 .1672953E+01
.1656171E+01 .1639977E+01 .1624394E+01 .1609437E+01 .1595120E+01
.1581451E+01 .1568432E+01 .1556063E+01 .1544339E+01 .1533248E+01
.1522778E+01 .1512909E+01 .1503620E+01 .1494885E+01 .1486674E+01
.1478956E+01 .1471695E+01 .1464855E+01 .1458394E+01 .1452273E+01
.1446448E+01 .1440877E+01 .1435514E+01 .1430316E+01 .1425239E+01
.1420238E+01 .1415270E+01 .1410296E+01 .1405273E+01 .1400164E+01
.1394934E+01 .1389548E+01 .1383975E+01 .1378187E+01 .1372160E+01
.1365871E+01 .1359302E+01 .1352437E+01 .1345266E+01 .1337778E+01
.1329971E+01 .1321842E+01 .1313394E+01 .1304632E+01 .1295565E+01
.1286204E+01 .1276565E+01 .1266664E+01 .1256522E+01 .1246160E+01
.1235603E+01 .1224877E+01 .1214008E+01 .1203027E+01 .1191962E+01
.1180843E+01 .1169703E+01 .1158571E+01 .1147478E+01 .1136456E+01
.1125533E+01 .1114738E+01 .1104099E+01 .1093642E+01 .1083392E+01
.1073373E+01 .1063603E+01 .1054104E+01 .1044891E+01 .1035979E+01
.1027380E+01 .1019103E+01 .1011155E+01 .1003542E+01 .9962644E+00
.9893227E+00 .9827140E+00 .9764330E+00 .9704724E+00 .9648227E+00
.9594725E+00 .9544082E+00 .9496150E+00 .9450762E+00 .9407738E+00
.9366887E+00 .9328008E+00 .9290892E+00 .9255323E+00 .9221082E+00
.9187950E+00 .9155705E+00 .9124130E+00 .9093009E+00 .9062136E+00
.9031309E+00 .9000337E+00 .8969040E+00 .8937249E+00 .8904808E+00
.8871576E+00 .8837428E+00 .8802253E+00 .8765958E+00 .8728466E+00
.8689718E+00 .8649673E+00 .8608306E+00 .8565613E+00 .8521602E+00
.8476301E+00 .8429751E+00 .8382011E+00 .8333152E+00 .8283256E+00
.8232420E+00 .8180749E+00 .8128358E+00 .8075370E+00 .8021915E+00
.7968126E+00 .7914143E+00 .7860105E+00 .7806154E+00 .7752431E+00
.7699073E+00 .7646217E+00 .7593993E+00 .7542523E+00 .7491925E+00
.7442308E+00 .7393770E+00 .7346401E+00 .7300278E+00 .7255470E+00
.7212031E+00 .7170006E+00 .7129424E+00 .7090305E+00 .7052655E+00
.7016467E+00 .6981723E+00 .6948390E+00 .6916428E+00 .6885782E+00
.6856388E+00 .6828175E+00 .6801060E+00 .6774954E+00 .6749761E+00
.6725381E+00 .6701707E+00 .6678630E+00 .6656038E+00 .6633819E+00
.6611858E+00 .6590043E+00 .6568263E+00 .6546410E+00 .6524380E+00
.6502073E+00 .6479398E+00 .6456267E+00 .6432602E+00 .6408332E+00
.6383395E+00 .6357739E+00 .6331320E+00 .6304105E+00 .6276071E+00
.6247204E+00 .6217501E+00 .6186968E+00 .6155623E+00 .6123491E+00
.6090608E+00 .6057018E+00 .6022774E+00 .5987937E+00 .5952574E+00
.5916760E+00 .5880574E+00 .5844100E+00 .5807427E+00 .5770644E+00
.5733846E+00 .5697125E+00 .5660576E+00 .5624293E+00 .5588368E+00
.5552890E+00 .5517946E+00 .5483618E+00 .5449986E+00 .5417121E+00
.5385089E+00 .5353952E+00 .5323762E+00 .5294564E+00 .5266396E+00
.5239286E+00 .5213255E+00 .5188316E+00 .5164472E+00 .5141718E+00
.5120041E+00 .5099420E+00 .5079826E+00 .5061222E+00 .5043565E+00
.5026804E+00 .5010884E+00 .4995741E+00 .4981310E+00 .4967518E+00
.4954292E+00 .4941552E+00 .4929220E+00 .4917213E+00 .4905450E+00
.4893848E+00 .4882328E+00 .4870808E+00 .4859212E+00 .4847466E+00
.4835498E+00 .4823242E+00 .4810635E+00 .4797622E+00 .4784150E+00
.4770175E+00 .4755656E+00 .4740562E+00 .4724866E+00 .4708550E+00
.4691602E+00 .4674016E+00 .4655794E+00 .4636945E+00 .4617484E+00
.4597433E+00 .4576819E+00 .4555676E+00 .4534041E+00 .4511959E+00
.4489477E+00 .4466647E+00 .4443522E+00 .4420161E+00 .4396623E+00
.4372969E+00 .4349262E+00 .4325563E+00 .4301935E+00 .4278439E+00
.4255136E+00 .4232083E+00 .4209336E+00 .4186946E+00 .4164965E+00
.4143436E+00 .4122400E+00 .4101894E+00 .4081951E+00 .4062595E+00
.4043849E+00 .4025729E+00 .4008245E+00 .3991403E+00 .3975202E+00
.3959637E+00 .3944696E+00 .3930365E+00 .3916622E+00 .3903443E+00
.3890797E+00 .3878653E+00 .3866972E+00 .3855716E+00 .3844841E+00
.3834304E+00 .3824058E+00 .3814054E+00 .3804245E+00 .3794582E+00
.3785015E+00 .3775497E+00 .3765981E+00 .3756421E+00 .3746775E+00
.3737000E+00 .3727059E+00 .3716917E+00 .3706541E+00 .3695904E+00
.3684981E+00 .3673751E+00 .3662198E+00 .3650310E+00 .3638079E+00
.3625502E+00 .3612580E+00 .3599318E+00 .3585726E+00 .3571816E+00
.3557607E+00 .3543119E+00 .3528376E+00 .3513406E+00 .3498239E+00
.3482907E+00 .3467444E+00 .3451887E+00 .3436272E+00 .3420638E+00
.3405023E+00 .3389467E+00 .3374007E+00 .3358682E+00 .3343528E+00
.3328582E+00 .3313876E+00 .3299443E+00 .3285311E+00 .3271508E+00
.3258056E+00 .3244976E+00 .3232286E+00 .3219998E+00 .3208124E+00
.3196669E+00 .3185637E+00 .3175027E+00 .3164834E+00 .3155050E+00
.3145664E+00 .3136661E+00 .3128022E+00 .3119727E+00 .3111752E+00
.3104070E+00 .3096653E+00 .3089470E+00 .3082490E+00 .3075679E+00
.3069002E+00 .3062425E+00 .3055912E+00 .3049428E+00 .3042937E+00
.3036406E+00 .3029801E+00 .3023090E+00 .3016244E+00 .3009233E+00
.3002031E+00 .2994616E+00 .2986965E+00 .2979061E+00 .2970889E+00
.2962436E+00 .2953694E+00 .2944656E+00 .2935320E+00 .2925686E+00
.2915759E+00 .2905546E+00 .2895056E+00 .2884304E+00 .2873305E+00
.2862077E+00 .2850643E+00 .2839025E+00 .2827250E+00 .2815343E+00
.2803335E+00 .2791254E+00 .2779131E+00 .2766997E+00 .2754884E+00
.2742824E+00 .2730846E+00 .2718982E+00 .2707262E+00 .2695714E+00
.2684364E+00 .2673239E+00 .2662363E+00 .2651755E+00 .2641437E+00
.2631423E+00 .2621729E+00 .2612365E+00 .2603340E+00 .2594659E+00
.2586325E+00 .2578338E+00 .2570694E+00 .2563388E+00 .2556412E+00
.2549753E+00 .2543398E+00 .2537332E+00 .2531535E+00 .2525987E+00
.2520667E+00 .2515550E+00 .2510612E+00 .2505825E+00 .2501163E+00
.2496599E+00 .2492104E+00 .2487650E+00 .2483210E+00 .2478755E+00
.2474261E+00 .2469700E+00 .2465049E+00 .2460285E+00 .2455385E+00
.2450331E+00 .2445105E+00 .2439691E+00 .2434076E+00 .2428249E+00
.2422201E+00 .2415927E+00 .2409422E+00 .2402685E+00 .2395718E+00
.2388525E+00 .2381112E+00 .2373487E+00 .2365661E+00 .2357648E+00
.2349461E+00 .2341118E+00 .2332637E+00 .2324038E+00 .2315340E+00
.2306566E+00 .2297738E+00 .2288880E+00 .2280014E+00 .2271164E+00
.2262352E+00 .2253603E+00 .2244938E+00 .2236379E+00 .2227946E+00
.2219659E+00 .2211535E+00 .2203592E+00 .2195844E+00 .2188304E+00
.2180983E+00 .2173890E+00 .2167031E+00 .2160413E+00 .2154036E+00
.2147903E+00 .2142010E+00 .2136355E+00 .2130932E+00 .2125732E+00
.2120747E+00 .2115965E+00 .2111373E+00 .2106956E+00 .2102698E+00
.2098583E+00 .2094591E+00 .2090704E+00 .2086903E+00 .2083166E+00
.2079473E+00 .2075805E+00 .2072141E+00 .2068461E+00 .2064745E+00
.2060976E+00 .2057135E+00 .2053206E+00 .2049173E+00 .2045023E+00
.2040742E+00 .2036319E+00 .2031747E+00 .2027015E+00 .2022120E+00
.2017058E+00 .2011825E+00 .2006423E+00 .2000852E+00 .1995118E+00
.1989224E+00 .1983180E+00 .1976992E+00 .1970673E+00 .1964234E+00
.1957688E+00 .1951049E+00 .1944334E+00 .1937558E+00 .1930739E+00
.1923893E+00 .1917040E+00 .1910196E+00 .1903381E+00 .1896612E+00
.1889906E+00 .1883281E+00 .1876754E+00 .1870339E+00 .1864051E+00
.1857905E+00 .1851912E+00 .1846083E+00 .1840427E+00 .1834953E+00
.1829666E+00 .1824571E+00 .1819672E+00 .1814969E+00 .1810462E+00
.1806148E+00 .1802023E+00 .1798083E+00 .1794320E+00 .1790725E+00
.1787288E+00 .1783998E+00 .1780843E+00 .1777809E+00 .1774880E+00
.1772043E+00 .1769281E+00 .1766577E+00 .1763915E+00 .1761278E+00
.1758649E+00 .1756011E+00 .1753347E+00 .1750642E+00 .1747880E+00
.1745046E+00 .1742128E+00 .1739111E+00 .1735985E+00 .1732739E+00
.1729365E+00 .1725853E+00 .1722199E+00 .1718398E+00 .1714446E+00
.1710342E+00 .1706086E+00 .1701680E+00 .1697126E+00 .1692431E+00
.1687598E+00 .1682637E+00 .1677556E+00 .1672364E+00 .1667074E+00
.1661696E+00 .1656244E+00 .1650732E+00 .1645174E+00 .1639585E+00
.1633980E+00 .1628375E+00 .1622784E+00 .1617222E+00 .1611706E+00
.1606250E+00 .1600867E+00 .1595572E+00 .1590376E+00 .1585292E+00
.1580330E+00 .1575500E+00 .1570811E+00 .1566270E+00 .1561882E+00
.1557653E+00 .1553585E+00 .1549681E+00 .1545941E+00 .1542364E+00
.1538947E+00 .1535687E+00 .1532578E+00 .1529615E+00 .1526789E+00
.1524093E+00 .1521516E+00 .1519048E+00 .1516677E+00 .1514392E+00
.1512179E+00 .1510026E+00 .1507919E+00 .1505844E+00 .1503788E+00
.1501737E+00 .1499678E+00 .1497597E+00 .1495481E+00 .1493319E+00
.1491099E+00 .1488810E+00 .1486442E+00 .1483986E+00 .1481434E+00
.1478779E+00 .1476016E+00 .1473140E+00 .1470149E+00 .1467038E+00
.1463809E+00 .1460462E+00 .1456997E+00 .1453419E+00 .1449731E+00
.1445938E+00 .1442046E+00 .1438064E+00 .1433998E+00 .1429858E+00
.1425653E+00 .1421395E+00 .1417093E+00 .1412759E+00 .1408405E+00
.1404042E+00 .1399683E+00 .1395338E+00 .1391021E+00 .1386743E+00
.1382513E+00 .1378344E+00 .1374244E+00 .1370224E+00 .1366292E+00
.1362456E+00 .1358722E+00 .1355096E+00 .1351584E+00 .1348189E+00
.1344914E+00 .1341761E+00 .1338730E+00 .1335820E+00 .1333031E+00
.1330359E+00 .1327802E+00 .1325353E+00 .1323007E+00 .1320759E+00
.1318600E+00 .1316522E+00 .1314518E+00 .1312577E+00 .1310690E+00
.1308847E+00 .1307038E+00 .1305251E+00 .1303477E+00 .1301705E+00
.1299925E+00 .1298126E+00 .1296299E+00 .1294434E+00 .1292522E+00
.1290556E+00 .1288527E+00 .1286428E+00 .1284255E+00 .1282001E+00
.1279662E+00 .1277235E+00 .1274718E+00 .1272109E+00 .1269408E+00
.1266615E+00 .1263733E+00 .1260763E+00 .1257709E+00 .1254576E+00
.1251368E+00 .1248091E+00 .1244753E+00 .1241360E+00 .1237921E+00
.1234443E+00 .1230936E+00 .1227408E+00 .1223869E+00 .1220329E+00
.1216797E+00 .1213283E+00 .1209795E+00 .1206343E+00 .1202936E+00
.1199582E+00 .1196289E+00 .1193064E+00 .1189915E+00 .1186847E+00
.1183865E+00 .1180974E+00 .1178178E+00 .1175480E+00 .1172882E+00
.1170384E+00 .1167987E+00 .1165690E+00 .1163493E+00 .1161391E+00
.1159382E+00 .1157462E+00 .1155625E+00 .1153867E+00 .1152182E+00
.1150561E+00 .1148998E+00 .1147486E+00 .1146016E+00 .1144579E+00
.1143167E+00 .1141772E+00 .1140384E+00 .1138995E+00 .1137596E+00
.1136178E+00 .1134734E+00 .1133255E+00 .1131735E+00 .1130166E+00
.1128542E+00 .1126858E+00 .1125108E+00 .1123288E+00 .1121395E+00
gradient corrections used for XC
4
core charge-density (partial)
.1334669E+01 .1334350E+01 .1333394E+01 .1331801E+01 .1329574E+01
.1326716E+01 .1323231E+01 .1319125E+01 .1314402E+01 .1309069E+01
.1303134E+01 .1296606E+01 .1289492E+01 .1281803E+01 .1273550E+01
.1264744E+01 .1255396E+01 .1245519E+01 .1235127E+01 .1224234E+01
.1212854E+01 .1201001E+01 .1188693E+01 .1175943E+01 .1162770E+01
.1149189E+01 .1135219E+01 .1120876E+01 .1106179E+01 .1091145E+01
.1075792E+01 .1060141E+01 .1044208E+01 .1028012E+01 .1011574E+01
.9949105E+00 .9780415E+00 .9609856E+00 .9437616E+00 .9263882E+00
.9088839E+00 .8912671E+00 .8735560E+00 .8557686E+00 .8379227E+00
.8200356E+00 .8021246E+00 .7842065E+00 .7662978E+00 .7484147E+00
.7305728E+00 .7127876E+00 .6950740E+00 .6774464E+00 .6599189E+00
.6425051E+00 .6252181E+00 .6080704E+00 .5910743E+00 .5742413E+00
.5575825E+00 .5411085E+00 .5248294E+00 .5087548E+00 .4928936E+00
.4772543E+00 .4618451E+00 .4466732E+00 .4317456E+00 .4170689E+00
.4026488E+00 .3884908E+00 .3745998E+00 .3609802E+00 .3476360E+00
.3345707E+00 .3217871E+00 .3092879E+00 .2970752E+00 .2851506E+00
.2735153E+00 .2621702E+00 .2511158E+00 .2403520E+00 .2298785E+00
.2196947E+00 .2097995E+00 .2001915E+00 .1908691E+00 .1818302E+00
.1730725E+00 .1645936E+00 .1563906E+00 .1484604E+00 .1407996E+00
.1334048E+00 .1262723E+00 .1193980E+00 .1127779E+00 .1064076E+00
.1002828E+00 .9439887E-01 .8875109E-01 .8333463E-01 .7814456E-01
.7317586E-01 .6842343E-01 .6388209E-01 .5954660E-01 .5541169E-01
.5147203E-01 .4772228E-01 .4415706E-01 .4077101E-01 .3755874E-01
.3451488E-01 .3163408E-01 .2891102E-01 .2634038E-01 .2391693E-01
.2163543E-01 .1949073E-01 .1747772E-01 .1559137E-01 .1382669E-01
.1217878E-01 .1064283E-01 .9214096E-02 .7887919E-02 .6659739E-02
.5525083E-02 .4479577E-02 .3518944E-02 .2639011E-02 .1835704E-02
.1105057E-02 .4432105E-03 -.1535882E-03 -.6889822E-03 -.1166505E-02
-.1589580E-02 -.1961519E-02 -.2285524E-02 -.2564686E-02 -.2801987E-02
-.3000295E-02 -.3162375E-02 -.3290877E-02 -.3388349E-02 -.3457228E-02
-.3499851E-02 -.3518448E-02 -.3515147E-02 -.3491977E-02 -.3450868E-02
-.3393652E-02 -.3322070E-02 -.3237766E-02 -.3142295E-02 -.3037124E-02
-.2923635E-02 -.2803123E-02 -.2676805E-02 -.2545817E-02 -.2411220E-02
-.2273997E-02 -.2135065E-02 -.1995267E-02 -.1855382E-02 -.1716125E-02
-.1578148E-02 -.1442043E-02 -.1308349E-02 -.1177548E-02 -.1050070E-02
-.9262971E-03 -.8065645E-03 -.6911622E-03 -.5803383E-03 -.4743010E-03
-.3732209E-03 -.2772332E-03 -.1864399E-03 -.1009118E-03 -.2069057E-04
.5420900E-04 .1237974E-03 .1881081E-03 .2471962E-03 .3011362E-03
.3500206E-03 .3939578E-03 .4330712E-03 .4674968E-03 .4973827E-03
.5228867E-03 .5441756E-03 .5614237E-03 .5748117E-03 .5845251E-03
.5907539E-03 .5936905E-03 .5935298E-03 .5904674E-03 .5846993E-03
.5764206E-03 .5658254E-03 .5531054E-03 .5384496E-03 .5220438E-03
.5040698E-03 .4847051E-03 .4641222E-03 .4424887E-03 .4199662E-03
.3967107E-03 .3728719E-03 .3485931E-03 .3240109E-03 .2992554E-03
.2744495E-03 .2497093E-03 .2251438E-03 .2008550E-03 .1769377E-03
.1534798E-03 .1305622E-03 .1082587E-03 .8663645E-04 .6575593E-04
.4567096E-04 .2642898E-04 .8071170E-05 -.9367341E-05 -.2585730E-04
-.4137510E-04 -.5590260E-04 -.6942687E-04 -.8193998E-04 -.9343872E-04
-.1039244E-03 -.1134026E-03 -.1218830E-03 -.1293787E-03 -.1359068E-03
-.1414872E-03 -.1461431E-03 -.1499003E-03 -.1527871E-03 -.1548341E-03
-.1560740E-03 -.1565411E-03 -.1562713E-03 -.1553019E-03 -.1536713E-03
-.1514188E-03 -.1485843E-03 -.1452083E-03 -.1413316E-03 -.1369951E-03
-.1322395E-03 -.1271057E-03 -.1216338E-03 -.1158638E-03 -.1098346E-03
-.1035848E-03 -.9715182E-04 -.9057217E-04 -.8388125E-04 -.7711332E-04
-.7030131E-04 -.6347685E-04 -.5667017E-04 -.4990999E-04 -.4322358E-04
-.3663662E-04 -.3017323E-04 -.2385590E-04 -.1770552E-04 -.1174133E-04
-.5980935E-05 -.4403169E-06 .4866180E-05 .9925820E-05 .1472746E-04
.1926151E-04 .2351992E-04 .2749616E-04 .3118512E-04 .3458313E-04
.3768789E-04 .4049842E-04 .4301499E-04 .4523909E-04 .4717337E-04
.4882157E-04 .5018845E-04 .5127976E-04 .5210213E-04 .5266305E-04
.5297077E-04 .5303427E-04 .5286314E-04 .5246758E-04 .5185830E-04
.5104644E-04 .5004354E-04 .4886147E-04 .4751236E-04 .4600855E-04
.4436250E-04 .4258679E-04 .4069403E-04 .3869681E-04 .3660765E-04
.3443898E-04 .3220306E-04 .2991193E-04 .2757741E-04 .2521105E-04
.2282406E-04 .2042732E-04 .1803133E-04 .1564619E-04 .1328156E-04
.1094665E-04 .8650205E-05 .6400487E-05 .4205243E-05 .2071712E-05
.6608850E-08 -.1983885E-05 -.3894121E-05 -.5718993E-05 -.7453931E-05
-.9094902E-05 -.1063841E-04 -.1208148E-04 -.1342166E-04 -.1465701E-04
-.1578610E-04 -.1680797E-04 -.1772214E-04 -.1852859E-04 -.1922775E-04
-.1982045E-04 -.2030796E-04 -.2069190E-04 -.2097429E-04 -.2115747E-04
-.2124411E-04 -.2123720E-04 -.2113998E-04 -.2095595E-04 -.2068887E-04
-.2034269E-04 -.1992154E-04 -.1942972E-04 -.1887169E-04 -.1825200E-04
-.1757531E-04 -.1684636E-04 -.1606993E-04 -.1525085E-04 -.1439394E-04
-.1350402E-04 -.1258589E-04 -.1164431E-04 -.1068395E-04 -.9709436E-05
-.8725273E-05 -.7735867E-05 -.6745501E-05 -.5758319E-05 -.4778317E-05
-.3809331E-05 -.2855028E-05 -.1918897E-05 -.1004239E-05 -.1141614E-06
.7484285E-06 .1580828E-05 .2380544E-05 .3145295E-05 .3873016E-05
.4561856E-05 .5210182E-05 .5816577E-05 .6379837E-05 .6898975E-05
.7373209E-05 .7801968E-05 .8184881E-05 .8521776E-05 .8812672E-05
.9057775E-05 .9257469E-05 .9412313E-05 .9523028E-05 .9590493E-05
.9615736E-05 .9599925E-05 .9544358E-05 .9450456E-05 .9319752E-05
.9153881E-05 .8954572E-05 .8723640E-05 .8462970E-05 .8174515E-05
.7860279E-05 .7522313E-05 .7162703E-05 .6783562E-05 .6387018E-05
.5975209E-05 .5550270E-05 .5114329E-05 .4669496E-05 .4217854E-05
.3761454E-05 .3302309E-05 .2842383E-05 .2383586E-05 .1927770E-05
.1476722E-05 .1032158E-05 .5957199E-06 .1689687E-06 -.2466171E-06
-.6496460E-06 -.1038817E-05 -.1412920E-05 -.1770842E-05 -.2111565E-05
-.2434170E-05 -.2737836E-05 -.3021841E-05 -.3285562E-05 -.3528478E-05
-.3750162E-05 -.3950289E-05 -.4128625E-05 -.4285035E-05 -.4419473E-05
-.4531984E-05 -.4622700E-05 -.4691837E-05 -.4739694E-05 -.4766645E-05
-.4773141E-05 -.4759699E-05 -.4726908E-05 -.4675415E-05 -.4605926E-05
-.4519203E-05 -.4416054E-05 -.4297333E-05 -.4163935E-05 -.4016789E-05
-.3856856E-05 -.3685122E-05 -.3502595E-05 -.3310302E-05 -.3109280E-05
-.2900574E-05 -.2685235E-05 -.2464311E-05 -.2238847E-05 -.2009879E-05
-.1778429E-05 -.1545505E-05 -.1312093E-05 -.1079157E-05 -.8476329E-06
-.6184287E-06 -.3924192E-06 -.1704441E-06 .4669416E-07 .2582332E-06
.4634521E-06 .6616738E-06 .8522661E-06 .1034644E-05 .1208268E-05
.1372651E-05 .1527352E-05 .1671980E-05 .1806197E-05 .1929712E-05
.2042287E-05 .2143730E-05 .2233903E-05 .2312713E-05 .2380117E-05
.2436118E-05 .2480765E-05 .2514151E-05 .2536413E-05 .2547728E-05
.2548314E-05 .2538425E-05 .2518353E-05 .2488423E-05 .2448991E-05
.2400444E-05 .2343194E-05 .2277682E-05 .2204367E-05 .2123733E-05
.2036278E-05 .1942518E-05 .1842980E-05 .1738205E-05 .1628739E-05
.1515136E-05 .1397953E-05 .1277747E-05 .1155077E-05 .1030496E-05
.9045542E-06 .7777924E-06 .6507434E-06 .5239286E-06 .3978562E-06
.2730201E-06 .1498974E-06 .2894794E-07 -.8938812E-07 -.2046909E-06
-.3165625E-06 -.4246274E-06 -.5285343E-06 -.6279564E-06 -.7225920E-06
-.8121658E-06 -.8964287E-06 -.9751586E-06 -.1048161E-05 -.1115267E-05
-.1176337E-05 -.1231259E-05 -.1279945E-05 -.1322338E-05 -.1358405E-05
-.1388139E-05 -.1411559E-05 -.1428710E-05 -.1439660E-05 -.1444499E-05
-.1443343E-05 -.1436325E-05 -.1423602E-05 -.1405350E-05 -.1381762E-05
-.1353048E-05 -.1319436E-05 -.1281167E-05 -.1238495E-05 -.1191688E-05
-.1141023E-05 -.1086787E-05 -.1029276E-05 -.9687918E-06 -.9056416E-06
-.8401373E-06 -.7725930E-06 -.7033247E-06 -.6326483E-06 -.5608787E-06
-.4883287E-06 -.4153073E-06 -.3421192E-06 -.2690629E-06 -.1964305E-06
-.1245062E-06 -.5356526E-07 .1612665E-07 .8431439E-07 .1507542E-06
.2152143E-06 .2774757E-06 .3373327E-06 .3945936E-06 .4490808E-06
.5006316E-06 .5490984E-06 .5943490E-06 .6362665E-06 .6747501E-06
.7097145E-06 .7410903E-06 .7688238E-06 .7928770E-06 .8132275E-06
.8298678E-06 .8428058E-06 .8520638E-06 .8576782E-06 .8596996E-06
.8581916E-06 .8532308E-06 .8449061E-06 .8333179E-06 .8185777E-06
.8008074E-06 .7801386E-06 .7567117E-06 .7306755E-06 .7021863E-06
.6714069E-06 .6385062E-06 .6036582E-06 .5670413E-06 .5288374E-06
.4892312E-06 .4484093E-06 .4065596E-06 .3638705E-06 .3205299E-06
.2767248E-06 .2326404E-06 .1884593E-06 .1443611E-06 .1005216E-06
.5711213E-07 .1429894E-07 -.2775721E-07 -.6890169E-07 -.1089865E-06
-.1478705E-06 -.1854205E-06 -.2215106E-06 -.2560236E-06 -.2888506E-06
-.3198914E-06 -.3490550E-06 -.3762596E-06 -.4014327E-06 -.4245113E-06
-.4454419E-06 -.4641807E-06 -.4806932E-06 -.4949548E-06 -.5069500E-06
-.5166729E-06 -.5241266E-06 -.5293231E-06 -.5322836E-06 -.5330373E-06
-.5316221E-06 -.5280835E-06 -.5224750E-06 -.5148569E-06 -.5052969E-06
-.4938688E-06 -.4806527E-06 -.4657344E-06 -.4492048E-06 -.4311596E-06
-.4116987E-06 -.3909261E-06 -.3689489E-06 -.3458770E-06 -.3218230E-06
-.2969010E-06 -.2712268E-06 -.2449168E-06 -.2180882E-06 -.1908580E-06
-.1633424E-06 -.1356572E-06 -.1079164E-06 -.8023230E-07 -.5271500E-07
-.2547194E-07 .1392449E-08 .2777709E-07 .5358462E-07 .7872171E-07
.1030993E-06 .1266331E-06 .1492434E-06 .1708559E-06 .1914012E-06
.2108158E-06 .2290414E-06 .2460259E-06 .2617226E-06 .2760911E-06
.2890968E-06 .3007113E-06 .3109120E-06 .3196826E-06 .3270126E-06
.3328974E-06 .3373385E-06 .3403427E-06 .3419228E-06 .3420968E-06
.3408882E-06 .3383254E-06 .3344419E-06 .3292757E-06 .3228694E-06
.3152697E-06 .3065274E-06 .2966969E-06 .2858360E-06 .2740057E-06
.2612697E-06 .2476944E-06 .2333482E-06 .2183017E-06 .2026268E-06
.1863969E-06 .1696863E-06 .1525700E-06 .1351233E-06 .1174217E-06
.9954024E-07 .8155359E-07 .6353553E-07 .4555875E-07 .2769457E-07
.1001269E-07 -.7419101E-08 -.2453510E-07 -.4127198E-07 -.5756892E-07
-.7336791E-07 -.8861382E-07 -.1032547E-06 -.1172417E-06 -.1305297E-06
-.1430767E-06 -.1548446E-06 -.1657989E-06 -.1759090E-06 -.1851481E-06
-.1934934E-06 -.2009258E-06 -.2074304E-06 -.2129960E-06 -.2176155E-06
-.2212856E-06 -.2240069E-06 -.2257837E-06 -.2266240E-06 -.2265395E-06
-.2255451E-06 -.2236594E-06 -.2209041E-06 -.2173041E-06 -.2128873E-06
-.2076841E-06 -.2017279E-06 -.1950545E-06 -.1877017E-06 -.1797099E-06
-.1711209E-06 -.1619786E-06 -.1523283E-06 -.1422163E-06 -.1316906E-06
-.1207995E-06 -.1095925E-06 -.9811914E-07 -.8642956E-07 -.7457385E-07
-.6260199E-07 -.5056365E-07 -.3850800E-07 -.2648350E-07 -.1453775E-07
-.2717275E-08 .8932591E-08 .2036791E-07 .3154628E-07 .4242695E-07
.5297102E-07 .6314149E-07 .7290343E-07 .8222408E-07 .9107292E-07
.9942179E-07 .1072449E-06 .1145191E-06 .1212235E-06 .1273401E-06
.1328533E-06 .1377502E-06 .1420206E-06 .1456569E-06 .1486540E-06
.1510097E-06 .1527242E-06 .1538003E-06 .1542432E-06 .1540607E-06
.1532629E-06 .1518622E-06 .1498731E-06 .1473124E-06 .1441988E-06
.1405530E-06 .1363975E-06 .1317564E-06 .1266555E-06 .1211219E-06
.1151841E-06 .1088719E-06 .1022160E-06 .9524790E-07 .8800017E-07
.8050581E-07 .7279838E-07 .6491178E-07 .5688013E-07 .4873761E-07
.4051836E-07 .3225631E-07 .2398508E-07 .1573783E-07 .7547134E-08
-.5551292E-09 -.8537894E-08 -.1637102E-07 -.2402541E-07 -.3147308E-07
-.3868729E-07 -.4564260E-07 -.5231499E-07 -.5868188E-07 -.6472225E-07
-.7041668E-07 -.7574739E-07 -.8069832E-07 -.8525514E-07 -.8940529E-07
-.9313801E-07 -.9644434E-07 -.9931717E-07 -.1017512E-06 -.1037429E-06
-.1052907E-06 -.1063946E-06 -.1070566E-06 -.1072801E-06 -.1070706E-06
-.1064350E-06 -.1053818E-06 -.1039210E-06 -.1020643E-06 -.9982467E-07
-.9721632E-07 -.9425485E-07 -.9095703E-07 -.8734071E-07 -.8342477E-07
-.7922900E-07 -.7477405E-07 -.7008130E-07 -.6517277E-07 -.6007103E-07
-.5479912E-07 -.4938044E-07 -.4383861E-07 -.3819747E-07 -.3248087E-07
-.2671266E-07 -.2091658E-07 -.1511611E-07 -.9334465E-08 -.3594445E-08
.2081623E-08 .7671971E-08 .1315547E-07 .1851172E-07 .2372107E-07
.2876475E-07 .3362490E-07 .3828463E-07 .4272808E-07 .4694045E-07
.5090807E-07 .5461843E-07 .5806020E-07 .6122330E-07 .6409885E-07
.6667927E-07 .6895823E-07 .7093070E-07 .7259292E-07 .7394243E-07
.7497803E-07 .7569979E-07 .7610902E-07 .7620827E-07 .7600127E-07
.7549293E-07 .7468929E-07 .7359746E-07 .7222563E-07 .7058299E-07
.6867966E-07 .6652669E-07 .6413596E-07 .6152013E-07 .5869261E-07
.5566746E-07 .5245934E-07 .4908345E-07 .4555544E-07 .4189137E-07
.3810764E-07 .3422089E-07 .3024797E-07 .2620584E-07 .2211152E-07
.1798200E-07 .1383421E-07 .9684919E-08 .5550688E-08 .1447800E-08
-.2607795E-08 -.6600544E-08 -.1051534E-07 -.1433760E-07 -.1805326E-07
-.2164890E-07 -.2511173E-07 -.2842965E-07 -.3159130E-07 -.3458608E-07
-.3740420E-07 -.4003669E-07 -.4247543E-07 -.4471317E-07 -.4674357E-07
-.4856116E-07 -.5016143E-07 -.5154075E-07 -.5269644E-07 -.5362672E-07
-.5433076E-07 -.5480861E-07 -.5506123E-07 -.5509046E-07 -.5489900E-07
-.5449039E-07 -.5386902E-07 -.5304001E-07 -.5200930E-07 -.5078352E-07
-.4937001E-07 -.4777674E-07 -.4601231E-07 -.4408591E-07 -.4200721E-07
-.3978642E-07 -.3743414E-07 -.3496139E-07 -.3237952E-07 -.2970016E-07
-.2693521E-07 -.2409673E-07 -.2119695E-07 -.1824818E-07 -.1526276E-07
-.1225305E-07 -.9231335E-08 -.6209792E-08 -.3200458E-08 -.2151679E-09
.2734483E-08 .5637184E-08 .8481952E-08 .1125817E-07 .1395561E-07
.1656450E-07 .1907554E-07 .2147991E-07 .2376935E-07 .2593613E-07
.2797313E-07 .2987381E-07 .3163225E-07 .3324319E-07 .3470199E-07
.3600470E-07 .3714801E-07 .3812931E-07 .3894664E-07 .3959873E-07
.4008497E-07 .4040544E-07 .4056084E-07 .4055255E-07 .4038258E-07
atomic charge-density
.3000000E+01 .2993248E+01 .2973136E+01 .2939993E+01 .2894368E+01
.2837000E+01 .2768790E+01 .2690769E+01 .2604065E+01 .2509866E+01
.2409390E+01 .2303852E+01 .2194436E+01 .2082280E+01 .1968449E+01
.1853930E+01 .1739622E+01 .1626330E+01 .1514763E+01 .1405540E+01
.1299189E+01 .1196154E+01 .1096797E+01 .1001413E+01 .9102243E+00
.8233973E+00 .7410426E+00 .6632229E+00 .5899583E+00 .5212314E+00
.4569919E+00 .3971612E+00 .3416362E+00 .2902934E+00 .2429925E+00
.1995789E+00 .1598875E+00 .1237451E+00 .9097265E-01 .6138779E-01
.3480679E-01 .1104630E-01 -.1007514E-01 -.2873571E-01 -.4510924E-01
-.5936426E-01 -.7166328E-01 -.8216222E-01 -.9101001E-01 -.9834830E-01
-.1043113E+00 -.1090256E+00 -.1126105E+00 -.1151778E+00 -.1168320E+00
-.1176706E+00 -.1177842E+00 -.1172568E+00 -.1161660E+00 -.1145836E+00
-.1125753E+00 -.1102014E+00 -.1075173E+00 -.1045732E+00 -.1014147E+00
-.9808334E-01 -.9461639E-01 -.9104748E-01 -.8740676E-01 -.8372110E-01
-.8001443E-01 -.7630790E-01 -.7262017E-01 -.6896755E-01 -.6536425E-01
-.6182254E-01 -.5835295E-01 -.5496438E-01 -.5166432E-01 -.4845892E-01
-.4535317E-01 -.4235096E-01 -.3945527E-01 -.3666820E-01 -.3399109E-01
-.3142459E-01 -.2896877E-01 -.2662316E-01 -.2438681E-01 -.2225841E-01
-.2023625E-01 -.1831834E-01 -.1650245E-01 -.1478610E-01 -.1316668E-01
-.1164140E-01 -.1020736E-01 -.8861584E-02 -.7601030E-02 -.6422610E-02
-.5323212E-02 -.4299719E-02 -.3349020E-02 -.2468022E-02 -.1653665E-02
-.9029284E-03 -.2128405E-03 .4195149E-03 .9969921E-03 .1522378E-02
.1998390E-02 .2427669E-02 .2812780E-02 .3156207E-02 .3460355E-02
.3727547E-02 .3960022E-02 .4159939E-02 .4329373E-02 .4470320E-02
.4584693E-02 .4674327E-02 .4740980E-02 .4786331E-02 .4811986E-02
.4819477E-02 .4810267E-02 .4785747E-02 .4747241E-02 .4696008E-02
.4633244E-02 .4560081E-02 .4477595E-02 .4386801E-02 .4288660E-02
.4184078E-02 .4073910E-02 .3958961E-02 .3839987E-02 .3717697E-02
.3592758E-02 .3465790E-02 .3337376E-02 .3208054E-02 .3078330E-02
.2948669E-02 .2819502E-02 .2691227E-02 .2564209E-02 .2438782E-02
.2315253E-02 .2193896E-02 .2074962E-02 .1958675E-02 .1845233E-02
.1734812E-02 .1627566E-02 .1523626E-02 .1423103E-02 .1326091E-02
.1232663E-02 .1142877E-02 .1056772E-02 .9743761E-03 .8956985E-03
.8207373E-03 .7494774E-03 .6818920E-03 .6179433E-03 .5575833E-03
.5007547E-03 .4473917E-03 .3974205E-03 .3507602E-03 .3073235E-03
.2670174E-03 .2297439E-03 .1954003E-03 .1638804E-03 .1350745E-03
.1088706E-03 .8515427E-04 .6380980E-04 .4472034E-04 .2776850E-04
.1283681E-04 -.1918346E-06 -.1143378E-04 -.2100419E-04 -.2901673E-04
-.3558315E-04 -.4081305E-04 -.4481350E-04 -.4768885E-04 -.4954043E-04
-.5046633E-04 -.5056123E-04 -.4991620E-04 -.4861856E-04 -.4675172E-04
-.4439513E-04 -.4162410E-04 -.3850984E-04 -.3511934E-04 -.3151534E-04
-.2775638E-04 -.2389675E-04 -.1998655E-04 -.1607174E-04 -.1219415E-04
-.8391623E-05 -.4698038E-05 -.1143459E-05 .2245780E-05 .5446941E-05
.8440756E-05 .1121128E-04 .1374574E-04 .1603440E-04 .1807036E-04
.1984942E-04 .2136992E-04 .2263251E-04 .2364005E-04 .2439738E-04
.2491117E-04 .2518971E-04 .2524280E-04 .2508150E-04 .2471803E-04
.2416555E-04 .2343805E-04 .2255015E-04 .2151696E-04 .2035397E-04
.1907686E-04 .1770140E-04 .1624334E-04 .1471825E-04 .1314144E-04
.1152787E-04 .9892037E-05 .8247884E-05 .6608754E-05 .4987301E-05
.3395438E-05 .1844284E-05 .3441238E-06 -.1095629E-05 -.2466455E-05
-.3760754E-05 -.4971850E-05 -.6094001E-05 -.7122395E-05 -.8053143E-05
-.8883264E-05 -.9610662E-05 -.1023411E-04 -.1075320E-04 -.1116835E-04
-.1148070E-04 -.1169214E-04 -.1180522E-04 -.1182311E-04 -.1174956E-04
-.1158885E-04 -.1134572E-04 -.1102533E-04 -.1063320E-04 -.1017515E-04
-.9657255E-05 -.9085797E-05 -.8467188E-05 -.7807937E-05 -.7114592E-05
-.6393693E-05 -.5651726E-05 -.4895076E-05 -.4129988E-05 -.3362524E-05
-.2598531E-05 -.1843601E-05 -.1103049E-05 -.3818764E-06 .3152457E-06
.9840012E-06 .1620446E-05 .2221020E-05 .2782564E-05 .3302319E-05
.3777939E-05 .4207487E-05 .4589437E-05 .4922668E-05 .5206458E-05
.5440475E-05 .5624764E-05 .5759733E-05 .5846139E-05 .5885066E-05
.5877912E-05 .5826359E-05 .5732360E-05 .5598107E-05 .5426012E-05
.5218682E-05 .4978890E-05 .4709552E-05 .4413699E-05 .4094454E-05
.3755002E-05 .3398571E-05 .3028399E-05 .2647720E-05 .2259731E-05
.1867578E-05 .1474330E-05 .1082963E-05 .6963380E-06 .3171870E-06
-.5190378E-07 -.4085076E-06 -.7503694E-06 -.1075417E-05 -.1381768E-05
-.1667741E-05 -.1931858E-05 -.2172849E-05 -.2389658E-05 -.2581438E-05
-.2747554E-05 -.2887582E-05 -.3001303E-05 -.3088697E-05 -.3149942E-05
-.3185400E-05 -.3195613E-05 -.3181294E-05 -.3143312E-05 -.3082685E-05
-.3000566E-05 -.2898231E-05 -.2777067E-05 -.2638557E-05 -.2484265E-05
-.2315826E-05 -.2134930E-05 -.1943306E-05 -.1742711E-05 -.1534916E-05
-.1321691E-05 -.1104794E-05 -.8859580E-06 -.6668776E-06 -.4491999E-06
-.2345126E-06 -.2433479E-07 .1798927E-06 .3768148E-06 .5651704E-06
.7437980E-06 .9116418E-06 .1067756E-05 .1211310E-05 .1341588E-05
.1457995E-05 .1560053E-05 .1647406E-05 .1719817E-05 .1777165E-05
.1819445E-05 .1846763E-05 .1859334E-05 .1857474E-05 .1841601E-05
.1812221E-05 .1769929E-05 .1715398E-05 .1649372E-05 .1572663E-05
.1486136E-05 .1390709E-05 .1287338E-05 .1177014E-05 .1060752E-05
.9395827E-06 .8145476E-06 .6866874E-06 .5570366E-06 .4266150E-06
.2964213E-06 .1674257E-06 .4056411E-07 -.8326822E-07 -.2032221E-06
-.3184993E-06 -.4283573E-06 -.5321132E-06 -.6291471E-06 -.7189050E-06
-.8009016E-06 -.8747216E-06 -.9400212E-06 -.9965287E-06 -.1044045E-05
-.1082443E-05 -.1111666E-05 -.1131728E-05 -.1142710E-05 -.1144758E-05
-.1138084E-05 -.1122956E-05 -.1099699E-05 -.1068691E-05 -.1030359E-05
-.9851722E-06 -.9336407E-06 -.8763085E-06 -.8137495E-06 -.7465627E-06
-.6753665E-06 -.6007942E-06 -.5234888E-06 -.4440979E-06 -.3632689E-06
-.2816441E-06 -.1998562E-06 -.1185238E-06 -.3824727E-07 .4039553E-07
.1168526E-06 .1906015E-06 .2611524E-06 .3280510E-06 .3908810E-06
.4492662E-06 .5028727E-06 .5514098E-06 .5946317E-06 .6323381E-06
.6643742E-06 .6906315E-06 .7110471E-06 .7256030E-06 .7343254E-06
.7372836E-06 .7345880E-06 .7263890E-06 .7128742E-06 .6942670E-06
.6708234E-06 .6428298E-06 .6106001E-06 .5744726E-06 .5348072E-06
.4919822E-06 .4463906E-06 .3984377E-06 .3485372E-06 .2971079E-06
.2445711E-06 .1913466E-06 .1378502E-06 .8449069E-07 .3166651E-07
-.2023652E-07 -.7084796E-07 -.1198151E-06 -.1668054E-06 -.2115082E-06
-.2536366E-06 -.2929295E-06 -.3291525E-06 -.3620991E-06 -.3915921E-06
-.4174837E-06 -.4396562E-06 -.4580225E-06 -.4725258E-06 -.4831391E-06
-.4898656E-06 -.4927372E-06 -.4918141E-06 -.4871834E-06 -.4789585E-06
-.4672769E-06 -.4522993E-06 -.4342076E-06 -.4132033E-06 -.3895053E-06
-.3633483E-06 -.3349804E-06 -.3046613E-06 -.2726596E-06 -.2392514E-06
-.2047174E-06 -.1693408E-06 -.1334057E-06 -.9719422E-07 -.6098502E-07
-.2505092E-07 .1034282E-07 .4494039E-07 .7849712E-07 .1107811E-06
.1415746E-06 .1706755E-06 .1978984E-06 .2230756E-06 .2460581E-06
.2667166E-06 .2849413E-06 .3006433E-06 .3137542E-06 .3242264E-06
.3320331E-06 .3371680E-06 .3396451E-06 .3394979E-06 .3367790E-06
.3315594E-06 .3239274E-06 .3139877E-06 .3018602E-06 .2876790E-06
.2715911E-06 .2537547E-06 .2343383E-06 .2135188E-06 .1914804E-06
.1684129E-06 .1445101E-06 .1199683E-06 .9498521E-07 .6975763E-07
.4448074E-07 .1934627E-07 -.5458690E-08 -.2975312E-07 -.5336324E-07
-.7612371E-07 -.9787871E-07 -.1184829E-06 -.1378024E-06 -.1557155E-06
-.1721133E-06 -.1869003E-06 -.1999950E-06 -.2113300E-06 -.2208524E-06
-.2285239E-06 -.2343207E-06 -.2382335E-06 -.2402676E-06 -.2404418E-06
-.2387889E-06 -.2353547E-06 -.2301975E-06 -.2233875E-06 -.2150063E-06
-.2051454E-06 -.1939062E-06 -.1813984E-06 -.1677394E-06 -.1530528E-06
-.1374682E-06 -.1211193E-06 -.1041432E-06 -.8667927E-07 -.6886816E-07
-.5085056E-07 -.3276626E-07 -.1475309E-07 .3054057E-08 .2052420E-07
.3753120E-07 .5395457E-07 .6968035E-07 .8460183E-07 .9862021E-07
.1116452E-06 .1235957E-06 .1344000E-06 .1439962E-06 .1523328E-06
.1593687E-06 .1650729E-06 .1694255E-06 .1724168E-06 .1740477E-06
.1743290E-06 .1732819E-06 .1709369E-06 .1673340E-06 .1625219E-06
.1565575E-06 .1495055E-06 .1414378E-06 .1324325E-06 .1225736E-06
.1119503E-06 .1006557E-06 .8878659E-07 .7644255E-07 .6372494E-07
.5073625E-07 .3757932E-07 .2435649E-07 .1116890E-07 -.1884302E-08
-.1470663E-07 -.2720494E-07 -.3929012E-07 -.5087761E-07 -.6188801E-07
-.7224759E-07 -.8188872E-07 -.9075031E-07 -.9877813E-07 -.1059252E-06
-.1121518E-06 -.1174259E-06 -.1217233E-06 -.1250274E-06 -.1273293E-06
-.1286281E-06 -.1289303E-06 -.1282496E-06 -.1266071E-06 -.1240307E-06
-.1205550E-06 -.1162205E-06 -.1110738E-06 -.1051666E-06 -.9855562E-07
-.9130205E-07 -.8347082E-07 -.7513027E-07 -.6635148E-07 -.5720776E-07
-.4777402E-07 -.3812619E-07 -.2834064E-07 -.1849357E-07 -.8660445E-08
.1084570E-08 .1066915E-07 .2002333E-07 .2907999E-07 .3777530E-07
.4604918E-07 .5384562E-07 .6111310E-07 .6780486E-07 .7387919E-07
.7929965E-07 .8403527E-07 .8806071E-07 .9135635E-07 .9390837E-07
.9570878E-07 .9675536E-07 .9705163E-07 .9660673E-07 .9543525E-07
.9355705E-07 .9099701E-07 .8778479E-07 .8395451E-07 .7954445E-07
.7459666E-07 .6915663E-07 .6327286E-07 .5699650E-07 .5038089E-07
.4348115E-07 .3635376E-07 .2905608E-07 .2164592E-07 .1418112E-07
.6719084E-08 -.6836567E-09 -.7971844E-08 -.1509191E-07 -.2199236E-07
-.2862414E-07 -.3494097E-07 -.4089965E-07 -.4646034E-07 -.5158680E-07
-.5624662E-07 -.6041138E-07 -.6405681E-07 -.6716291E-07 -.6971400E-07
-.7169882E-07 -.7311051E-07 -.7394661E-07 -.7420903E-07 -.7390399E-07
-.7304185E-07 -.7163707E-07 -.6970797E-07 -.6727658E-07 -.6436844E-07
-.6101230E-07 -.5723991E-07 -.5308569E-07 -.4858651E-07 -.4378127E-07
-.3871067E-07 -.3341684E-07 -.2794301E-07 -.2233318E-07 -.1663178E-07
-.1088330E-07 -.5132028E-08 .5783527E-09 .6205049E-08 .1170648E-07
.1704259E-07 .2217511E-07 .2706786E-07 .3168697E-07 .3600113E-07
.3998178E-07 .4360330E-07 .4684314E-07 .4968197E-07 .5210376E-07
.5409586E-07 .5564905E-07 .5675755E-07 .5741903E-07 .5763457E-07
.5740861E-07 .5674888E-07 .5566629E-07 .5417481E-07 .5229135E-07
.5003554E-07 .4742959E-07 .4449808E-07 .4126772E-07 .3776715E-07
.3402663E-07 .3007785E-07 .2595365E-07 .2168773E-07 .1731440E-07
.1286829E-07 .8384122E-08 .3896408E-08 -.5607859E-09 -.4954094E-08
-.9251091E-08 -.1342052E-07 -.1743251E-07 -.2125880E-07 -.2487287E-07
-.2825021E-07 -.3136839E-07 -.3420724E-07 -.3674899E-07 -.3897833E-07
-.4088250E-07 -.4245140E-07 -.4367755E-07 -.4455618E-07 -.4508520E-07
-.4526517E-07 -.4509929E-07 -.4459331E-07 -.4375548E-07 -.4259645E-07
-.4112916E-07 -.3936869E-07 -.3733217E-07 -.3503859E-07 -.3250863E-07
-.2976451E-07 -.2682978E-07 -.2372913E-07 -.2048817E-07 -.1713327E-07
-.1369131E-07 -.1018947E-07 -.6655059E-08 -.3115252E-08 .4030598E-09
.3873496E-08 .7270368E-08 .1056886E-07 .1374522E-07 .1677690E-07
.1964273E-07 .2232304E-07 .2479983E-07 .2705683E-07 .2907967E-07
.3085590E-07 .3237512E-07 .3362899E-07 .3461132E-07 .3531802E-07
.3574719E-07 .3589905E-07 .3577591E-07 .3538217E-07 .3472423E-07
.3381041E-07 .3265089E-07 .3125757E-07 .2964401E-07 .2782523E-07
.2581766E-07 .2363895E-07 .2130780E-07 .1884385E-07 .1626748E-07
.1359969E-07 .1086187E-07 .8075674E-08 .5262844E-08 .2445043E-08
-.3563054E-09 -.3120177E-08 -.5826095E-08 -.8454277E-08 -.1098578E-07
-.1340261E-07 -.1568788E-07 -.1782588E-07 -.1980222E-07 -.2160390E-07
-.2321940E-07 -.2463875E-07 -.2585357E-07 -.2685713E-07 -.2764441E-07
-.2821204E-07 -.2855839E-07 -.2868351E-07 -.2858911E-07 -.2827855E-07
-.2775678E-07 -.2703027E-07 -.2610698E-07 -.2499623E-07 -.2370867E-07
-.2225612E-07 -.2065154E-07 -.1890886E-07 -.1704289E-07 -.1506921E-07
-.1300400E-07 -.1086400E-07 -.8666269E-08 -.6428142E-08 -.4167052E-08
-.1900409E-08 .3545286E-09 .2580789E-08 .4761811E-08 .6881562E-08
.8924660E-08 .1087648E-07 .1272325E-07 .1445217E-07 .1605146E-07
.1751047E-07 .1881973E-07 .1997101E-07 .2095737E-07 .2177320E-07
.2241423E-07 .2287759E-07 .2316175E-07 .2326659E-07 .2319331E-07
.2294449E-07 .2252396E-07 .2193684E-07 .2118946E-07 .2028926E-07
.1924479E-07 .1806557E-07 .1676204E-07 .1534549E-07 .1382789E-07
.1222190E-07 .1054066E-07 .8797769E-08 .7007134E-08 .5182873E-08
.3339206E-08 .1490348E-08 -.3495999E-09 -.2166754E-08 -.3947553E-08
-.5678856E-08 -.7348040E-08 -.8943087E-08 -.1045267E-07 -.1186624E-07
-.1317408E-07 -.1436740E-07 -.1543837E-07 -.1638016E-07 -.1718704E-07
-.1785435E-07 -.1837855E-07 -.1875725E-07 -.1898917E-07 -.1907422E-07
-.1901337E-07 -.1880875E-07 -.1846354E-07 -.1798194E-07 -.1736916E-07
-.1663133E-07 -.1577546E-07 -.1480937E-07 -.1374159E-07 -.1258135E-07
-.1133843E-07 -.1002316E-07 -.8646233E-08 -.7218725E-08 -.5751947E-08
-.4257380E-08 -.2746586E-08 -.1231129E-08 .2775199E-09 .1768054E-08
.3229420E-08 .4650892E-08 .6022150E-08 .7333350E-08 .8575192E-08
.9738989E-08 .1081672E-07 .1180108E-07 .1268556E-07 .1346444E-07
.1413285E-07 .1468683E-07 .1512330E-07 .1544011E-07 .1563604E-07
.1571082E-07 .1566508E-07 .1550040E-07 .1521922E-07 .1482489E-07
.1432156E-07 .1371421E-07 .1300853E-07 .1221095E-07 .1132850E-07
.1036882E-07 .9340038E-08 .8250748E-08 .7109906E-08 .5926774E-08
.4710838E-08 .3471742E-08 .2219201E-08 .9629369E-09 -.2874033E-09
-.1522318E-08 -.2732525E-08 -.3909028E-08 -.5043188E-08 -.6126783E-08
-.7152069E-08 -.8111838E-08 -.8999463E-08 -.9808946E-08 -.1053496E-07
-.1117286E-07 -.1171876E-07 -.1216950E-07 -.1252266E-07 -.1277664E-07
-.1293057E-07 -.1298436E-07 -.1293870E-07 -.1279500E-07 -.1255541E-07
-.1222279E-07 -.1180067E-07 -.1129324E-07 -.1070526E-07 -.1004208E-07
-.9309546E-08 -.8513977E-08 -.7662092E-08 -.6760961E-08 -.5817944E-08
14.1729449143419259 T
Non local Part
0 2 2.14648825522835240
2.27095749693447990 -9.59464579941825058 -9.59464579941825058 44.4437421974687581
Reciprocal Space Part
.8217402E+01 .8239428E+01 .8304989E+01 .8412548E+01 .8559576E+01
.8742606E+01 .8957307E+01 .9198572E+01 .9460623E+01 .9737132E+01
.1002135E+02 .1030624E+02 .1058464E+02 .1084938E+02 .1109344E+02
.1131011E+02 .1149309E+02 .1163662E+02 .1173561E+02 .1178574E+02
.1178350E+02 .1172629E+02 .1161246E+02 .1144132E+02 .1121316E+02
.1092922E+02 .1059165E+02 .1020350E+02 .9768594E+01 .9291491E+01
.8777369E+01 .8231924E+01 .7661256E+01 .7071752E+01 .6469958E+01
.5862465E+01 .5255787E+01 .4656242E+01 .4069854E+01 .3502246E+01
.2958561E+01 .2443383E+01 .1960677E+01 .1513744E+01 .1105192E+01
.7369137E+00 .4100916E+00 .1252073E+00 -.1179306E+00 -.3201483E+00
-.4828571E+00 -.6079943E+00 -.6979562E+00 -.7555258E+00 -.7837960E+00
-.7860907E+00 -.7658859E+00 -.7267317E+00 -.6721782E+00 -.6057050E+00
-.5306576E+00 -.4501902E+00 -.3672167E+00 -.2843701E+00 -.2039715E+00
-.1280072E+00 -.5811584E-01 .4415642E-02 .5864815E-01 .1039784E+00
.1401199E+00 .1670784E+00 .1851216E+00 .1947457E+00 .1966381E+00
.1916399E+00 .1807063E+00 .1648685E+00 .1451965E+00 .1227641E+00
.9861746E-01 .7374658E-01 .4906144E-01 .2537224E-01 .3374446E-02
-.1636159E-01 -.3339634E-01 -.4742247E-01 -.5826207E-01 -.6586029E-01
-.7027568E-01 -.7166794E-01 -.7028357E-01 -.6644006E-01 -.6050912E-01
-.5289968E-01 -.4404111E-01 -.3436712E-01 -.2430094E-01 -.1424200E-01
Real Space Part
.1981673E+02 .1981578E+02 .1981244E+02 .1980522E+02 .1979166E+02
.1976847E+02 .1973160E+02 .1967639E+02 .1959772E+02 .1949022E+02
.1934839E+02 .1916687E+02 .1894057E+02 .1866487E+02 .1833583E+02
.1795028E+02 .1750599E+02 .1700179E+02 .1643760E+02 .1581453E+02
.1513485E+02 .1440199E+02 .1362048E+02 .1279588E+02 .1193467E+02
.1104410E+02 .1013206E+02 .9206909E+01 .8277269E+01 .7351878E+01
.6439387E+01 .5548186E+01 .4686233E+01 .3860904E+01 .3078851E+01
.2345888E+01 .1666900E+01 .1045772E+01 .4853529E+00 -.1256653E-01
-.4472380E+00 -.8189244E+00 -.1128843E+01 -.1379090E+01 -.1572547E+01
-.1712779E+01 -.1803915E+01 -.1850529E+01 -.1857514E+01 -.1829963E+01
-.1773046E+01 -.1691898E+01 -.1591517E+01 -.1476676E+01 -.1351839E+01
-.1221099E+01 -.1088133E+01 -.9561601E+00 -.8279275E+00 -.7057017E+00
-.5912753E+00 -.4859852E+00 -.3907404E+00 -.3060569E+00 -.2321000E+00
-.1687300E+00 -.1155512E+00 -.7196085E-01 -.3719787E-01 -.1038961E-01
.9405072E-02 .2315659E-01 .3183039E-01 .3635804E-01 .3761373E-01
.3639639E-01 .3341712E-01 .2929164E-01 .2453722E-01 .1957364E-01
.1472738E-01 .1023857E-01 .6269835E-02 .2916498E-02 .2174965E-03
-.1833523E-02 -.3277426E-02 -.4179485E-02 -.4620277E-02 -.4687771E-02
-.4470747E-02 -.4053589E-02 -.3512433E-02 -.2912601E-02 -.2307179E-02
-.1736603E-02 -.1229067E-02 -.8015642E-03 -.4613839E-03 -.2078803E-03
Reciprocal Space Part
-.1804917E+01 -.1789341E+01 -.1742862E+01 -.1666219E+01 -.1560633E+01
-.1427778E+01 -.1269754E+01 -.1089047E+01 -.8884827E+00 -.6711783E+00
-.4404822E+00 -.1999154E+00 .4689156E-01 .2962624E+00 .5445396E+00
.7881470E+00 .1023650E+01 .1247813E+01 .1457651E+01 .1650474E+01
.1823931E+01 .1976041E+01 .2105213E+01 .2210274E+01 .2290466E+01
.2345456E+01 .2375323E+01 .2380546E+01 .2361983E+01 .2320839E+01
.2258635E+01 .2177168E+01 .2078470E+01 .1964757E+01 .1838388E+01
.1701811E+01 .1557520E+01 .1408001E+01 .1255693E+01 .1102944E+01
.9519705E+00 .8048252E+00 .6633678E+00 .5292407E+00 .4038505E+00
.2883554E+00 .1836581E+00 .9040455E-01 .8987790E-02 -.6044322E-01
-.1179701E+00 -.1638875E+00 -.1986824E+00 -.2230103E+00 -.2376695E+00
-.2435738E+00 -.2417249E+00 -.2331843E+00 -.2190460E+00 -.2004100E+00
-.1783586E+00 -.1539333E+00 -.1281156E+00 -.1018099E+00 -.7582966E-01
-.5088694E-01 -.2758485E-01 -.6413395E-02 .1225167E-01 .2814705E-01
.4111755E-01 .5110935E-01 .5816124E-01 .6239429E-01 .6400022E-01
.6322895E-01 .6037569E-01 .5576793E-01 .4975272E-01 .4268449E-01
.3491382E-01 .2677726E-01 .1858850E-01 .1063095E-01 .3151909E-02
-.3641727E-02 -.9586109E-02 -.1456160E-01 -.1849249E-01 -.2134532E-01
-.2312616E-01 -.2387677E-01 -.2367004E-01 -.2260483E-01 -.2080036E-01
-.1839053E-01 -.1551809E-01 -.1232915E-01 -.8967936E-02 -.5572081E-02
Real Space Part
.4076889E+01 .4078155E+01 .4081780E+01 .4087263E+01 .4093780E+01
.4100220E+01 .4105220E+01 .4107206E+01 .4104452E+01 .4095135E+01
.4077397E+01 .4049406E+01 .4009426E+01 .3955869E+01 .3887358E+01
.3802772E+01 .3701296E+01 .3582448E+01 .3446112E+01 .3292542E+01
.3122377E+01 .2936625E+01 .2736647E+01 .2524136E+01 .2301071E+01
.2069679E+01 .1832385E+01 .1591752E+01 .1350425E+01 .1111076E+01
.8763341E+00 .6487377E+00 .4306751E+00 .2243371E+00 .3167348E-01
-.1456423E+00 -.3062413E+00 -.4490786E+00 -.5734440E+00 -.6789641E+00
-.7655968E+00 -.8336168E+00 -.8835948E+00 -.9163706E+00 -.9330207E+00
-.9348218E+00 -.9232120E+00 -.8997501E+00 -.8660743E+00 -.8238620E+00
-.7747911E+00 -.7205045E+00 -.6625774E+00 -.6024892E+00 -.5415999E+00
-.4811315E+00 -.4221545E+00 -.3655790E+00 -.3121511E+00 -.2624538E+00
-.2169117E+00 -.1757997E+00 -.1392545E+00 -.1072881E+00 -.7980421E-01
-.5661458E-01 -.3745646E-01 -.2200994E-01 -.9914624E-02 -.7853794E-03
.5773298E-02 .1015457E-01 .1273838E-01 .1388250E-01 .1391566E-01
.1313245E-01 .1179029E-01 .1010793E-01 .8265554E-02 .6406137E-02
.4637868E-02 .3037383E-02 .1653554E-02 .5116326E-03 -.3824901E-03
-.1038075E-02 -.1475536E-02 -.1722781E-02 -.1811973E-02 -.1776783E-02
-.1650159E-02 -.1462614E-02 -.1241016E-02 -.1007834E-02 -.7808009E-03
-.5729118E-03 -.3927047E-03 -.2447437E-03 -.1302402E-03 -.4774886E-04
Non local Part
1 2 2.14648825522835240
7.10888639432232949 -14.0132641221828766 -14.0132641221828766 58.5894246039223034
Reciprocal Space Part
.0000000E+00 .1433354E+00 .2878870E+00 .4348259E+00 .5852342E+00
.7400638E+00 .9000978E+00 .1065917E+01 .1237870E+01 .1416053E+01
.1600292E+01 .1790133E+01 .1984843E+01 .2183411E+01 .2384565E+01
.2586791E+01 .2788358E+01 .2987349E+01 .3181702E+01 .3369249E+01
.3547759E+01 .3714989E+01 .3868730E+01 .4006856E+01 .4127368E+01
.4228442E+01 .4308469E+01 .4366091E+01 .4400234E+01 .4410135E+01
.4395358E+01 .4355811E+01 .4291749E+01 .4203774E+01 .4092825E+01
.3960162E+01 .3807347E+01 .3636214E+01 .3448834E+01 .3247481E+01
.3034590E+01 .2812710E+01 .2584464E+01 .2352497E+01 .2119434E+01
.1887834E+01 .1660151E+01 .1438688E+01 .1225570E+01 .1022708E+01
.8317748E+00 .6541864E+00 .4910854E+00 .3433341E+00 .2115114E+00
.9591594E-01 -.3425314E-02 -.8674334E-01 -.1545089E+00 -.2074103E+00
-.2463280E+00 -.2723060E+00 -.2865223E+00 -.2902570E+00 -.2848613E+00
-.2717255E+00 -.2522491E+00 -.2278119E+00 -.1997477E+00 -.1693199E+00
-.1377017E+00 -.1059579E+00 -.7503178E-01 -.4573467E-01 -.1873993E-01
.5419785E-02 .2635167E-01 .4379867E-01 .5763247E-01 .6784389E-01
.7453116E-01 .7788642E-01 .7818101E-01 .7574999E-01 .7097620E-01
.6427458E-01 .5607685E-01 .4681718E-01 .3691893E-01 .2678299E-01
.1677765E-01 .7230396E-02 -.1578411E-02 -.9419944E-02 -.1611936E-01
-.2155642E-01 -.2566438E-01 -.2842738E-01 -.2987638E-01 -.3008410E-01
Real Space Part
.0000000E+00 .5809241E+00 .1158116E+01 .1727851E+01 .2286429E+01
.2830180E+01 .3355483E+01 .3858786E+01 .4336624E+01 .4785651E+01
.5202666E+01 .5584650E+01 .5928803E+01 .6232584E+01 .6493750E+01
.6710403E+01 .6881023E+01 .7004515E+01 .7080236E+01 .7108025E+01
.7088228E+01 .7021709E+01 .6909856E+01 .6754577E+01 .6558281E+01
.6323860E+01 .6054645E+01 .5754363E+01 .5427086E+01 .5077162E+01
.4709148E+01 .4327736E+01 .3937675E+01 .3543687E+01 .3150394E+01
.2762237E+01 .2383405E+01 .2017769E+01 .1668825E+01 .1339639E+01
.1032814E+01 .7504585E+00 .4941699E+00 .2650297E+00 .6360935E-01
-.1100126E+00 -.2562232E+00 -.3758392E+00 -.4700626E+00 -.5404306E+00
-.5887604E+00 -.6170908E+00 -.6276230E+00 -.6226606E+00 -.6045526E+00
-.5756380E+00 -.5381964E+00 -.4944030E+00 -.4462900E+00 -.3957156E+00
-.3443389E+00 -.2936038E+00 -.2447283E+00 -.1987022E+00 -.1562902E+00
-.1180411E+00 -.8430181E-01 -.5523561E-01 -.3084294E-01 -.1098492E-01
.4592197E-02 .1623219E-01 .2434450E-01 .2938107E-01 .3181499E-01
.3212142E-01 .3076112E-01 .2816692E-01 .2473309E-01 .2080766E-01
.1668763E-01 .1261672E-01 .8785556E-02 .5333761E-02 .2353778E-02
-.1040906E-03 -.2025770E-02 -.3426983E-02 -.4346669E-02 -.4840529E-02
-.4974965E-02 -.4821618E-02 -.4452643E-02 -.3936821E-02 -.3336552E-02
-.2705730E-02 -.2088449E-02 -.1518469E-02 -.1019347E-02 -.6050983E-03
Reciprocal Space Part
.0000000E+00 -.6717994E-01 -.1325329E+00 -.1942700E+00 -.2506783E+00
-.3001559E+00 -.3412459E+00 -.3726662E+00 -.3933360E+00 -.4023979E+00
-.3992352E+00 -.3834837E+00 -.3550390E+00 -.3140567E+00 -.2609493E+00
-.1963756E+00 -.1212264E+00 -.3660500E-01 .5619672E-01 .1557254E+00
.2603970E+00 .3685295E+00 .4783772E+00 .5881663E+00 .6961305E+00
.8005452E+00 .8997609E+00 .9922348E+00 .1076559E+01 .1151485E+01
.1215946E+01 .1269074E+01 .1310211E+01 .1338919E+01 .1354983E+01
.1358407E+01 .1349413E+01 .1328427E+01 .1296067E+01 .1253124E+01
.1200543E+01 .1139400E+01 .1070874E+01 .9962261E+00 .9167666E+00
.8338324E+00 .7487582E+00 .6628517E+00 .5773694E+00 .4934952E+00
.4123204E+00 .3348275E+00 .2618765E+00 .1941948E+00 .1323696E+00
.7684474E-01 .2791987E-01 -.1424672E-01 -.4963264E-01 -.7834324E-01
-.1006011E+00 -.1167334E+00 -.1271584E+00 -.1323696E+00 -.1329202E+00
-.1294068E+00 -.1224532E+00 -.1126943E+00 -.1007618E+00 -.8726961E-01
-.7280190E-01 -.5790193E-01 -.4306301E-01 -.2872118E-01 -.1524989E-01
-.2956606E-02 .7918717E-02 .1720334E-01 .2478978E-01 .3063228E-01
.3474210E-01 .3718153E-01 .3805723E-01 .3751276E-01 .3572089E-01
.3287566E-01 .2918458E-01 .2486111E-01 .2011758E-01 .1515882E-01
.1017649E-01 .5344348E-02 .8144119E-03 -.3285870E-02 -.6855465E-02
-.9820629E-02 -.1213487E-01 -.1377805E-01 -.1475473E-01 -.1509192E-01
Real Space Part
.0000000E+00 .2156670E+00 .4296769E+00 .6403812E+00 .8461490E+00
.1045376E+01 .1236495E+01 .1417988E+01 .1588396E+01 .1746336E+01
.1890512E+01 .2019732E+01 .2132925E+01 .2229154E+01 .2307636E+01
.2367754E+01 .2409074E+01 .2431356E+01 .2434566E+01 .2418881E+01
.2384696E+01 .2332626E+01 .2263499E+01 .2178354E+01 .2078424E+01
.1965125E+01 .1840035E+01 .1704870E+01 .1561459E+01 .1411714E+01
.1257596E+01 .1101087E+01 .9441518E+00 .7887079E+00 .6365909E+00
.4895248E+00 .3490936E+00 .2167165E+00 .9362658E-01 -.1914574E-01
-.1207850E+00 -.2106977E+00 -.2885148E+00 -.3540886E+00 -.4074853E+00
-.4489731E+00 -.4790061E+00 -.4982047E+00 -.5073336E+00 -.5072766E+00
-.4990115E+00 -.4835826E+00 -.4620743E+00 -.4355853E+00 -.4052035E+00
-.3719839E+00 -.3369274E+00 -.3009644E+00 -.2649394E+00 -.2296003E+00
-.1955908E+00 -.1634456E+00 -.1335893E+00 -.1063380E+00 -.8190397E-01
-.6040227E-01 -.4185931E-01 -.2622321E-01 -.1337507E-01 -.3140810E-02
.4696598E-02 .1038523E-01 .1419274E-01 .1639575E-01 .1727030E-01
.1708354E-01 .1608685E-01 .1451029E-01 .1255867E-01 .1040888E-01
.8208632E-02 .6076350E-02 .4102149E-02 .2349649E-02 .8584955E-03
-.3526385E-03 -.1282726E-02 -.1944931E-02 -.2363160E-02 -.2568784E-02
-.2597605E-02 -.2487187E-02 -.2274591E-02 -.1994552E-02 -.1678109E-02
-.1351677E-02 -.1036525E-02 -.7486284E-03 -.4988268E-03 -.2932347E-03
Augmentation charge
0 0 0 -1 -.122387901E+00 .143303215E+01
-.1527876E+01 -.1527462E+01 -.1526215E+01 -.1524124E+01 -.1521168E+01
-.1517321E+01 -.1512548E+01 -.1506809E+01 -.1500061E+01 -.1492254E+01
-.1483339E+01 -.1473262E+01 -.1461971E+01 -.1449416E+01 -.1435549E+01
-.1420326E+01 -.1403708E+01 -.1385665E+01 -.1366172E+01 -.1345215E+01
-.1322788E+01 -.1298897E+01 -.1273560E+01 -.1246804E+01 -.1218668E+01
-.1189206E+01 -.1158481E+01 -.1126566E+01 -.1093548E+01 -.1059521E+01
-.1024591E+01 -.9888711E+00 -.9524805E+00 -.9155457E+00 -.8781972E+00
-.8405690E+00 -.8027971E+00 -.7650179E+00 -.7273670E+00 -.6899777E+00
-.6529798E+00 -.6164985E+00 -.5806529E+00 -.5455552E+00 -.5113097E+00
-.4780120E+00 -.4457484E+00 -.4145953E+00 -.3846187E+00 -.3558741E+00
-.3284064E+00 -.3022499E+00 -.2774284E+00 -.2539555E+00 -.2318352E+00
-.2110619E+00 -.1916217E+00 -.1734923E+00 -.1566442E+00 -.1410414E+00
-.1266420E+00 -.1133994E+00 -.1012624E+00 -.9017701E-01 -.8008642E-01
-.7093207E-01 -.6265448E-01 -.5519385E-01 -.4849061E-01 -.4248614E-01
-.3712326E-01 -.3234662E-01 -.2810313E-01 -.2434239E-01 -.2101682E-01
-.1808194E-01 -.1549649E-01 -.1322261E-01 -.1122576E-01 -.9474803E-02
-.7941956E-02 -.6602662E-02 -.5435508E-02 -.4422108E-02 -.3546868E-02
-.2796840E-02 -.2161513E-02 -.1632587E-02 -.1203165E-02 -.8624049E-03
-.5974840E-03 -.3966319E-03 -.2492034E-03 -.1454465E-03 -.7646954E-04
-.3433112E-04 -.1179005E-04 -.2292053E-05 -.6456762E-07 .9266705E-09
Augmentation charge
0 0 0 -1 .348944308E+00 .143303215E+01
.2259852E+01 .2260413E+01 .2262077E+01 .2264806E+01 .2268534E+01
.2273167E+01 .2278585E+01 .2284653E+01 .2291201E+01 .2298056E+01
.2305020E+01 .2311882E+01 .2318416E+01 .2324392E+01 .2329576E+01
.2333726E+01 .2336605E+01 .2337978E+01 .2337619E+01 .2335310E+01
.2330842E+01 .2324028E+01 .2314694E+01 .2302688E+01 .2287876E+01
.2270152E+01 .2249430E+01 .2225655E+01 .2198794E+01 .2168843E+01
.2135822E+01 .2099782E+01 .2060797E+01 .2018965E+01 .1974413E+01
.1927282E+01 .1877741E+01 .1825975E+01 .1772186E+01 .1716588E+01
.1659410E+01 .1600890E+01 .1541271E+01 .1480801E+01 .1419731E+01
.1358311E+01 .1296786E+01 .1235399E+01 .1174382E+01 .1113960E+01
.1054344E+01 .9957349E+00 .9383184E+00 .8822636E+00 .8277233E+00
.7748350E+00 .7237154E+00 .6744660E+00 .6271677E+00 .5818868E+00
.5386688E+00 .4975438E+00 .4585257E+00 .4216129E+00 .3867898E+00
.3540260E+00 .3232808E+00 .2945028E+00 .2676300E+00 .2425933E+00
.2193173E+00 .1977214E+00 .1777207E+00 .1592292E+00 .1421598E+00
.1264258E+00 .1119422E+00 .9862863E-01 .8640722E-01 .7520609E-01
.6496070E-01 .5561263E-01 .4711196E-01 .3941797E-01 .3249893E-01
.2633291E-01 .2090807E-01 .1622299E-01 .1228142E-01 .9040976E-02
.6431937E-02 .4383797E-02 .2827252E-02 .1693655E-02 .9137335E-03
.4208427E-03 .1482241E-03 .2957096E-04 .8353446E-06 -.1142838E-07
Augmentation charge
0 1 1 -1 .000000000E+00 .143303215E+01
-.1572935E-03 -.6462524E-01 -.1290245E+00 -.1929724E+00 -.2562443E+00
-.3186176E+00 -.3798714E+00 -.4397880E+00 -.4981529E+00 -.5547564E+00
-.6093939E+00 -.6618669E+00 -.7119843E+00 -.7595636E+00 -.8044318E+00
-.8464267E+00 -.8853984E+00 -.9212103E+00 -.9537406E+00 -.9828834E+00
-.1008550E+01 -.1030670E+01 -.1049191E+01 -.1064083E+01 -.1075333E+01
-.1082954E+01 -.1086976E+01 -.1087452E+01 -.1084456E+01 -.1078084E+01
-.1068452E+01 -.1055692E+01 -.1039959E+01 -.1021422E+01 -.1000264E+01
-.9766842E+00 -.9508921E+00 -.9231067E+00 -.8935544E+00 -.8624668E+00
-.8300784E+00 -.7966243E+00 -.7623382E+00 -.7274497E+00 -.6921829E+00
-.6567540E+00 -.6213695E+00 -.5862249E+00 -.5515029E+00 -.5173724E+00
-.4839872E+00 -.4514857E+00 -.4199899E+00 -.3896053E+00 -.3604205E+00
-.3325081E+00 -.3059240E+00 -.2807087E+00 -.2568875E+00 -.2344716E+00
-.2134593E+00 -.1938365E+00 -.1755782E+00 -.1586498E+00 -.1430085E+00
-.1286039E+00 -.1153801E+00 -.1032766E+00 -.9222950E-01 -.8217273E-01
-.7303922E-01 -.6476171E-01 -.5727387E-01 -.5051116E-01 -.4441138E-01
-.3891540E-01 -.3396773E-01 -.2951697E-01 -.2551594E-01 -.2192209E-01
-.1869763E-01 -.1580950E-01 -.1322939E-01 -.1093367E-01 -.8903202E-02
-.7123069E-02 -.5582402E-02 -.4273988E-02 -.3192312E-02 -.2318950E-02
-.1628078E-02 -.1095154E-02 -.6971788E-03 -.4122440E-03 -.2195748E-03
-.9985438E-04 -.3471983E-04 -.6834059E-05 -.1902897E-06 .2418583E-08
Augmentation charge
0 1 1 -1 .000000000E+00 .143303215E+01
.5883082E-04 .2421683E-01 .4862248E-01 .7340179E-01 .9873189E-01
.1247778E+00 .1516898E+00 .1795990E+00 .2086149E+00 .2388235E+00
.2702838E+00 .3030274E+00 .3370548E+00 .3723385E+00 .4088188E+00
.4464062E+00 .4849839E+00 .5244038E+00 .5644932E+00 .6050558E+00
.6458729E+00 .6867091E+00 .7273099E+00 .7674139E+00 .8067475E+00
.8450344E+00 .8820011E+00 .9173714E+00 .9508812E+00 .9822773E+00
.1011318E+01 .1037782E+01 .1061468E+01 .1082198E+01 .1099818E+01
.1114204E+01 .1125259E+01 .1132916E+01 .1137140E+01 .1137924E+01
.1135292E+01 .1129298E+01 .1120023E+01 .1107576E+01 .1092090E+01
.1073721E+01 .1052646E+01 .1029057E+01 .1003165E+01 .9751894E+00
.9453624E+00 .9139200E+00 .8811018E+00 .8471500E+00 .8123009E+00
.7767909E+00 .7408445E+00 .7046818E+00 .6685066E+00 .6325139E+00
.5968822E+00 .5617756E+00 .5273415E+00 .4937106E+00 .4609956E+00
.4292934E+00 .3986827E+00 .3692266E+00 .3409724E+00 .3139518E+00
.2881841E+00 .2636750E+00 .2404200E+00 .2184056E+00 .1976102E+00
.1780061E+00 .1595616E+00 .1422443E+00 .1260192E+00 .1108538E+00
.9671895E-01 .8359005E-01 .7144896E-01 .6028549E-01 .5009887E-01
.4089806E-01 .3270403E-01 .2554905E-01 .1946944E-01 .1442543E-01
.1032712E-01 .7081842E-02 .4594755E-02 .2768438E-02 .1502182E-02
.6957467E-03 .2462224E-03 .4928111E-04 .1330319E-05 -.1184205E-07
Augmentation charge
0 0 0 -1 -.118162396E+01 .143303215E+01
-.2614857E+01 -.2618624E+01 -.2629880E+01 -.2648540E+01 -.2674445E+01
-.2707379E+01 -.2747059E+01 -.2793168E+01 -.2845292E+01 -.2903011E+01
-.2965847E+01 -.3033264E+01 -.3104689E+01 -.3179520E+01 -.3257134E+01
-.3336866E+01 -.3418048E+01 -.3499990E+01 -.3581998E+01 -.3663381E+01
-.3743434E+01 -.3821481E+01 -.3896851E+01 -.3968900E+01 -.4036999E+01
-.4100561E+01 -.4159024E+01 -.4211880E+01 -.4258652E+01 -.4298913E+01
-.4332284E+01 -.4358448E+01 -.4377134E+01 -.4388130E+01 -.4391287E+01
-.4386499E+01 -.4373733E+01 -.4353009E+01 -.4324399E+01 -.4288026E+01
-.4244075E+01 -.4192775E+01 -.4134399E+01 -.4069266E+01 -.3997728E+01
-.3920179E+01 -.3837036E+01 -.3748746E+01 -.3655774E+01 -.3558600E+01
-.3457712E+01 -.3353608E+01 -.3246790E+01 -.3137746E+01 -.3026960E+01
-.2914910E+01 -.2802042E+01 -.2688797E+01 -.2575577E+01 -.2462777E+01
-.2350743E+01 -.2239796E+01 -.2130231E+01 -.2022301E+01 -.1916233E+01
-.1812205E+01 -.1710378E+01 -.1610876E+01 -.1513788E+01 -.1419178E+01
-.1327088E+01 -.1237538E+01 -.1150524E+01 -.1066039E+01 -.9840671E+00
-.9045865E+00 -.8275780E+00 -.7530523E+00 -.6810161E+00 -.6115081E+00
-.5446122E+00 -.4804380E+00 -.4191489E+00 -.3609696E+00 -.3061854E+00
-.2551533E+00 -.2083083E+00 -.1661741E+00 -.1293204E+00 -.9783947E-01
-.7152020E-01 -.5007687E-01 -.3316868E-01 -.2040325E-01 -.1129991E-01
-.5340917E-02 -.1929734E-02 -.3951313E-03 -.1120188E-04 .1467062E-06
Augmentation charge
0 1 1 -1 .000000000E+00 .143303215E+01
.2906711E-03 .1194556E+00 .2386794E+00 .3574386E+00 .4754982E+00
.5926197E+00 .7085601E+00 .8230730E+00 .9359030E+00 .1046793E+01
.1155480E+01 .1261692E+01 .1365155E+01 .1465590E+01 .1562716E+01
.1656249E+01 .1745908E+01 .1831412E+01 .1912487E+01 .1988866E+01
.2060288E+01 .2126510E+01 .2187300E+01 .2242448E+01 .2291761E+01
.2335072E+01 .2372239E+01 .2403150E+01 .2427724E+01 .2445909E+01
.2457688E+01 .2463082E+01 .2462146E+01 .2454969E+01 .2441680E+01
.2422439E+01 .2397443E+01 .2366922E+01 .2331139E+01 .2290379E+01
.2244959E+01 .2195221E+01 .2141523E+01 .2084241E+01 .2023765E+01
.1960494E+01 .1894831E+01 .1827185E+01 .1757959E+01 .1687551E+01
.1616351E+01 .1544734E+01 .1473063E+01 .1401679E+01 .1330902E+01
.1261032E+01 .1192337E+01 .1125067E+01 .1059434E+01 .9956320E+00
.9338188E+00 .8741257E+00 .8166572E+00 .7614889E+00 .7086720E+00
.6582296E+00 .6101652E+00 .5644615E+00 .5210805E+00 .4799694E+00
.4410621E+00 .4042814E+00 .3695410E+00 .3367511E+00 .3058189E+00
.2766516E+00 .2491593E+00 .2232615E+00 .1988819E+00 .1759566E+00
.1544370E+00 .1342873E+00 .1154901E+00 .9804700E-01 .8197983E-01
.6733106E-01 .5416529E-01 .4256967E-01 .3263937E-01 .2433523E-01
.1753415E-01 .1210359E-01 .7905689E-02 .4796229E-02 .2620606E-02
.1222308E-02 .4357978E-03 .8801766E-04 .2457680E-05 -.2959980E-07
Augmentation charge
0 1 1 -1 .000000000E+00 .143303215E+01
-.3392908E-04 -.1405254E-01 -.2872951E-01 -.4464742E-01 -.6240718E-01
-.8258531E-01 -.1057284E+00 -.1323438E+00 -.1628941E+00 -.1977930E+00
-.2373969E+00 -.2820024E+00 -.3318381E+00 -.3870685E+00 -.4477860E+00
-.5140095E+00 -.5856906E+00 -.6627020E+00 -.7448488E+00 -.8318682E+00
-.9234276E+00 -.1019137E+01 -.1118540E+01 -.1221138E+01 -.1326372E+01
-.1433651E+01 -.1542350E+01 -.1651808E+01 -.1761353E+01 -.1870298E+01
-.1977947E+01 -.2083612E+01 -.2186613E+01 -.2286289E+01 -.2382001E+01
-.2473143E+01 -.2559147E+01 -.2639488E+01 -.2713689E+01 -.2781321E+01
-.2842017E+01 -.2895464E+01 -.2941412E+01 -.2979669E+01 -.3010110E+01
-.3032667E+01 -.3047332E+01 -.3054157E+01 -.3053250E+01 -.3044766E+01
-.3028915E+01 -.3005945E+01 -.2976145E+01 -.2939840E+01 -.2897371E+01
-.2849124E+01 -.2795473E+01 -.2736832E+01 -.2673592E+01 -.2606171E+01
-.2534961E+01 -.2460354E+01 -.2382730E+01 -.2302446E+01 -.2219845E+01
-.2135240E+01 -.2048929E+01 -.1961182E+01 -.1872247E+01 -.1782347E+01
-.1691691E+01 -.1600465E+01 -.1508845E+01 -.1417002E+01 -.1325105E+01
-.1233326E+01 -.1141848E+01 -.1050897E+01 -.9607042E+00 -.8715530E+00
-.7837877E+00 -.6978041E+00 -.6140764E+00 -.5331665E+00 -.4557339E+00
-.3825399E+00 -.3144685E+00 -.2525275E+00 -.1977861E+00 -.1505829E+00
-.1107500E+00 -.7800889E-01 -.5197277E-01 -.3215180E-01 -.1790710E-01
-.8510545E-02 -.3089486E-02 -.6346243E-03 -.1718719E-04 .1420209E-06
Augmentation charge
1 1 0 -1 -.182891529E+00 .143303215E+01
-.1200783E-07 -.2027873E-02 -.8093973E-02 -.1814588E-01 -.3209669E-01
-.4982574E-01 -.7117952E-01 -.9597301E-01 -.1239911E+00 -.1549905E+00
-.1887018E+00 -.2248316E+00 -.2630654E+00 -.3030701E+00 -.3444971E+00
-.3869858E+00 -.4301663E+00 -.4736639E+00 -.5171017E+00 -.5601050E+00
-.6023048E+00 -.6433415E+00 -.6828685E+00 -.7205559E+00 -.7560936E+00
-.7891945E+00 -.8195983E+00 -.8470722E+00 -.8714151E+00 -.8924587E+00
-.9100685E+00 -.9241455E+00 -.9346267E+00 -.9414850E+00 -.9447286E+00
-.9444012E+00 -.9405790E+00 -.9333707E+00 -.9229146E+00 -.9093758E+00
-.8929442E+00 -.8738305E+00 -.8522640E+00 -.8284880E+00 -.8027575E+00
-.7753343E+00 -.7464844E+00 -.7164741E+00 -.6855669E+00 -.6540200E+00
-.6220818E+00 -.5899889E+00 -.5579638E+00 -.5262131E+00 -.4949253E+00
-.4642709E+00 -.4343993E+00 -.4054406E+00 -.3775034E+00 -.3506763E+00
-.3250279E+00 -.3006074E+00 -.2774460E+00 -.2555579E+00 -.2349417E+00
-.2155824E+00 -.1974523E+00 -.1805141E+00 -.1647211E+00 -.1500205E+00
-.1363543E+00 -.1236612E+00 -.1118786E+00 -.1009438E+00 -.9079559E-01
-.8137531E-01 -.7262833E-01 -.6450496E-01 -.5696082E-01 -.4995792E-01
-.4346504E-01 -.3745798E-01 -.3191976E-01 -.2684031E-01 -.2221701E-01
-.1805356E-01 -.1436024E-01 -.1115296E-01 -.8448265E-02 -.6223065E-02
-.4429712E-02 -.3020664E-02 -.1949094E-02 -.1167979E-02 -.6303931E-03
-.2904436E-03 -.1022606E-03 -.2038143E-04 -.5607030E-06 .6167481E-08
Augmentation charge
1 1 0 -1 .449267099E+00 .143303215E+01
.9831057E-08 .1661298E-02 .6643234E-02 .1493976E-01 .2654028E-01
.4142877E-01 .5958275E-01 .8097191E-01 .1055564E+00 .1332855E+00
.1640955E+00 .1979082E+00 .2346282E+00 .2741430E+00 .3163193E+00
.3610030E+00 .4080193E+00 .4571687E+00 .5082297E+00 .5609585E+00
.6150885E+00 .6703331E+00 .7263836E+00 .7829173E+00 .8395935E+00
.8960596E+00 .9519579E+00 .1006919E+01 .1060576E+01 .1112565E+01
.1162528E+01 .1210114E+01 .1254994E+01 .1296852E+01 .1335396E+01
.1370364E+01 .1401520E+01 .1428660E+01 .1451620E+01 .1470266E+01
.1484508E+01 .1494291E+01 .1499601E+01 .1500462E+01 .1496937E+01
.1489126E+01 .1477160E+01 .1461206E+01 .1441457E+01 .1418133E+01
.1391479E+01 .1361755E+01 .1329234E+01 .1294207E+01 .1256961E+01
.1217798E+01 .1177005E+01 .1134879E+01 .1091693E+01 .1047720E+01
.1003214E+01 .9584140E+00 .9135397E+00 .8687914E+00 .8243465E+00
.7803643E+00 .7369800E+00 .6943087E+00 .6524466E+00 .6114686E+00
.5714360E+00 .5323913E+00 .4943676E+00 .4573884E+00 .4214697E+00
.3866234E+00 .3528618E+00 .3202046E+00 .2886719E+00 .2582983E+00
.2291312E+00 .2012351E+00 .1746941E+00 .1496142E+00 .1261282E+00
.1043930E+00 .8459623E-01 .6695250E-01 .5168238E-01 .3878947E-01
.2812874E-01 .1953867E-01 .1284026E-01 .7835907E-02 .4306474E-02
.2020041E-02 .7237006E-03 .1466417E-03 .3908091E-05 -.2758684E-07
Augmentation charge
1 1 0 -1 -.117339188E+01 .143303215E+01
.1143269E-08 .1908389E-03 .7349366E-03 .1547570E-02 .2489282E-02
.3368651E-02 .3945643E-02 .3936692E-02 .3019525E-02 .8396157E-03
-.2982827E-02 -.8846143E-02 -.1715823E-01 -.2833020E-01 -.4276698E-01
-.6085917E-01 -.8297703E-01 -.1094592E+00 -.1406087E+00 -.1766853E+00
-.2178988E+00 -.2644063E+00 -.3163016E+00 -.3736216E+00 -.4363327E+00
-.5043382E+00 -.5774779E+00 -.6555180E+00 -.7381666E+00 -.8250706E+00
-.9158159E+00 -.1009937E+01 -.1106922E+01 -.1206218E+01 -.1307231E+01
-.1409350E+01 -.1511933E+01 -.1614333E+01 -.1715895E+01 -.1815967E+01
-.1913910E+01 -.2009095E+01 -.2100927E+01 -.2188832E+01 -.2272281E+01
-.2350777E+01 -.2423872E+01 -.2491163E+01 -.2552299E+01 -.2606976E+01
-.2654949E+01 -.2696017E+01 -.2730027E+01 -.2756888E+01 -.2776528E+01
-.2788949E+01 -.2794158E+01 -.2792232E+01 -.2783237E+01 -.2767298E+01
-.2744540E+01 -.2715116E+01 -.2679184E+01 -.2636914E+01 -.2588474E+01
-.2534049E+01 -.2473814E+01 -.2407946E+01 -.2336636E+01 -.2260062E+01
-.2178424E+01 -.2091918E+01 -.2000767E+01 -.1905219E+01 -.1805550E+01
-.1702069E+01 -.1595143E+01 -.1485224E+01 -.1372802E+01 -.1258482E+01
-.1142969E+01 -.1027087E+01 -.9117952E+00 -.7981996E+00 -.6875813E+00
-.5813832E+00 -.4812597E+00 -.3890500E+00 -.3066867E+00 -.2349776E+00
-.1738865E+00 -.1232184E+00 -.8257804E-01 -.5137676E-01 -.2877691E-01
-.1375244E-01 -.5016035E-02 -.1033655E-02 -.2666439E-04 .7665256E-07
End of Dataset
US O
6.00000000000000000
parameters from PSCTR are:
VRHFIN =O: s2p4
LEXCH = 91
EATOM = 429.1268 eV, 31.5399 Ry
TITEL = US O
LULTRA = T use ultrasoft PP ?
IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no
RPACOR = .000 partial core radius
POMASS = 16.000; ZVAL = 6.000 mass and valenz
RCORE = 1.550 outmost cutoff radius
RWIGS = 1.400; RWIGS = .741 wigner-seitz radius (au A)
ENMAX = 395.994; ENMIN = 296.995 eV
EAUG = 700.000
ICORE = 2 local potential
LCOR = T correct aug charges
RMAX = 2.317 core radius for proj-oper
QCUT = -5.395; QGAM = 10.790 optimization parameters
Description
l E TYP RCUT TYP RCUT
0 .000 15 1.130 23 1.400
0 .000 15 1.130 23 1.400
1 .000 15 1.130 23 1.550
1 .000 15 1.130 23 1.550
2 .000 7 1.550 7 1.550
Error from kinetic energy argument (eV)
NDATA = 100
STEP = 20.000 1.050
157. 154. 152. 149. 147. 144. 141. 139.
136. 132. 131. 127. 123. 120. 116. 112.
109. 105. 102. 96.2 92.7 89.2 84.0 80.7
77.4 72.6 67.9 64.9 60.6 56.4 52.4 48.6
44.9 41.5 38.2 35.1 31.3 28.6 25.3 23.1
20.3 17.7 15.4 13.3 11.5 9.86 8.41 6.84
5.75 4.60 3.63 2.98 2.31 1.76 1.25 .925
.672 .447 .289 .181 .111 .678E-01 .424E-01 .273E-01
.218E-01 .197E-01 .194E-01 .192E-01 .182E-01 .165E-01 .139E-01 .109E-01
.815E-02 .579E-02 .383E-02 .272E-02 .204E-02 .178E-02 .172E-02 .171E-02
.163E-02 .145E-02 .120E-02 .901E-03 .646E-03 .471E-03 .379E-03 .342E-03
.333E-03 .319E-03 .282E-03 .233E-03 .175E-03 .134E-03 .110E-03 .101E-03
.957E-04 .873E-04 .725E-04 .578E-04
END of PSCTR-controll parameters
local part
120.942463269051089
.2463893E+02 .2463606E+02 .2463234E+02 .2462612E+02 .2461741E+02
.2460619E+02 .2459243E+02 .2457612E+02 .2455724E+02 .2453576E+02
.2451167E+02 .2448495E+02 .2445557E+02 .2442352E+02 .2438878E+02
.2435131E+02 .2431111E+02 .2426813E+02 .2422236E+02 .2417375E+02
.2412227E+02 .2406787E+02 .2401050E+02 .2395011E+02 .2388663E+02
.2382001E+02 .2375017E+02 .2367704E+02 .2360055E+02 .2352061E+02
.2343714E+02 .2335005E+02 .2325925E+02 .2316466E+02 .2306619E+02
.2296372E+02 .2285718E+02 .2274647E+02 .2263148E+02 .2251212E+02
.2238830E+02 .2225992E+02 .2212689E+02 .2198912E+02 .2184651E+02
.2169899E+02 .2154649E+02 .2138891E+02 .2122621E+02 .2105832E+02
.2088520E+02 .2070679E+02 .2052308E+02 .2033403E+02 .2013965E+02
.1993993E+02 .1973490E+02 .1952457E+02 .1930899E+02 .1908822E+02
.1886233E+02 .1863140E+02 .1839554E+02 .1815486E+02 .1790948E+02
.1765957E+02 .1740528E+02 .1714678E+02 .1688428E+02 .1661797E+02
.1634809E+02 .1607487E+02 .1579855E+02 .1551941E+02 .1523772E+02
.1495377E+02 .1466785E+02 .1438029E+02 .1409139E+02 .1380148E+02
.1351089E+02 .1321998E+02 .1292907E+02 .1263853E+02 .1234869E+02
.1205991E+02 .1177254E+02 .1148693E+02 .1120342E+02 .1092237E+02
.1064409E+02 .1036894E+02 .1009721E+02 .9829238E+01 .9565314E+01
.9305729E+01 .9050762E+01 .8800676E+01 .8555720E+01 .8316128E+01
.8082115E+01 .7853881E+01 .7631608E+01 .7415458E+01 .7205574E+01
.7002081E+01 .6805082E+01 .6614663E+01 .6430886E+01 .6253795E+01
.6083414E+01 .5919746E+01 .5762775E+01 .5612465E+01 .5468761E+01
.5331590E+01 .5200861E+01 .5076466E+01 .4958281E+01 .4846165E+01
.4739965E+01 .4639512E+01 .4544624E+01 .4455111E+01 .4370768E+01
.4291385E+01 .4216740E+01 .4146607E+01 .4080752E+01 .4018938E+01
.3960925E+01 .3906470E+01 .3855329E+01 .3807258E+01 .3762016E+01
.3719362E+01 .3679061E+01 .3640882E+01 .3604599E+01 .3569992E+01
.3536849E+01 .3504967E+01 .3474151E+01 .3444214E+01 .3414984E+01
.3386293E+01 .3357989E+01 .3329931E+01 .3301987E+01 .3274039E+01
.3245980E+01 .3217718E+01 .3189168E+01 .3160261E+01 .3130939E+01
.3101155E+01 .3070873E+01 .3040069E+01 .3008728E+01 .2976847E+01
.2944431E+01 .2911494E+01 .2878060E+01 .2844159E+01 .2809829E+01
.2775114E+01 .2740063E+01 .2704732E+01 .2669179E+01 .2633467E+01
.2597662E+01 .2561831E+01 .2526044E+01 .2490369E+01 .2454876E+01
.2419635E+01 .2384713E+01 .2350177E+01 .2316090E+01 .2282514E+01
.2249507E+01 .2217122E+01 .2185410E+01 .2154417E+01 .2124183E+01
.2094745E+01 .2066134E+01 .2038376E+01 .2011491E+01 .1985495E+01
.1960397E+01 .1936203E+01 .1912912E+01 .1890519E+01 .1869012E+01
.1848378E+01 .1828596E+01 .1809643E+01 .1791491E+01 .1774110E+01
.1757464E+01 .1741518E+01 .1726231E+01 .1711561E+01 .1697466E+01
.1683900E+01 .1670818E+01 .1658174E+01 .1645921E+01 .1634012E+01
.1622404E+01 .1611049E+01 .1599906E+01 .1588932E+01 .1578087E+01
.1567333E+01 .1556634E+01 .1545956E+01 .1535271E+01 .1524549E+01
.1513766E+01 .1502901E+01 .1491935E+01 .1480853E+01 .1469642E+01
.1458295E+01 .1446806E+01 .1435171E+01 .1423391E+01 .1411469E+01
.1399412E+01 .1387228E+01 .1374927E+01 .1362523E+01 .1350032E+01
.1337469E+01 .1324853E+01 .1312204E+01 .1299543E+01 .1286891E+01
.1274270E+01 .1261704E+01 .1249214E+01 .1236824E+01 .1224554E+01
.1212428E+01 .1200466E+01 .1188687E+01 .1177110E+01 .1165754E+01
.1154633E+01 .1143762E+01 .1133155E+01 .1122822E+01 .1112771E+01
.1103011E+01 .1093547E+01 .1084382E+01 .1075516E+01 .1066951E+01
.1058682E+01 .1050706E+01 .1043017E+01 .1035606E+01 .1028465E+01
.1021582E+01 .1014946E+01 .1008542E+01 .1002357E+01 .9963739E+00
.9905775E+00 .9849505E+00 .9794756E+00 .9741351E+00 .9689112E+00
.9637859E+00 .9587415E+00 .9537608E+00 .9488268E+00 .9439232E+00
.9390343E+00 .9341455E+00 .9292430E+00 .9243140E+00 .9193470E+00
.9143316E+00 .9092588E+00 .9041207E+00 .8989110E+00 .8936246E+00
.8882579E+00 .8828087E+00 .8772761E+00 .8716606E+00 .8659638E+00
.8601889E+00 .8543400E+00 .8484224E+00 .8424425E+00 .8364077E+00
.8303261E+00 .8242065E+00 .8180588E+00 .8118928E+00 .8057192E+00
.7995489E+00 .7933929E+00 .7872623E+00 .7811682E+00 .7751217E+00
.7691333E+00 .7632136E+00 .7573724E+00 .7516191E+00 .7459626E+00
.7404108E+00 .7349711E+00 .7296500E+00 .7244532E+00 .7193854E+00
.7144503E+00 .7096508E+00 .7049886E+00 .7004647E+00 .6960789E+00
.6918301E+00 .6877162E+00 .6837345E+00 .6798809E+00 .6761509E+00
.6725392E+00 .6690396E+00 .6656454E+00 .6623493E+00 .6591436E+00
.6560200E+00 .6529702E+00 .6499852E+00 .6470562E+00 .6441743E+00
.6413304E+00 .6385157E+00 .6357214E+00 .6329391E+00 .6301605E+00
.6273779E+00 .6245840E+00 .6217719E+00 .6189354E+00 .6160687E+00
.6131670E+00 .6102258E+00 .6072415E+00 .6042113E+00 .6011330E+00
.5980052E+00 .5948272E+00 .5915992E+00 .5883217E+00 .5849965E+00
.5816255E+00 .5782116E+00 .5747581E+00 .5712689E+00 .5677484E+00
.5642016E+00 .5606336E+00 .5570499E+00 .5534566E+00 .5498595E+00
.5462649E+00 .5426791E+00 .5391084E+00 .5355590E+00 .5320371E+00
.5285486E+00 .5250994E+00 .5216948E+00 .5183400E+00 .5150399E+00
.5117988E+00 .5086207E+00 .5055089E+00 .5024665E+00 .4994959E+00
.4965989E+00 .4937768E+00 .4910304E+00 .4883599E+00 .4857650E+00
.4832447E+00 .4807976E+00 .4784218E+00 .4761148E+00 .4738738E+00
.4716955E+00 .4695763E+00 .4675121E+00 .4654986E+00 .4635312E+00
.4616053E+00 .4597159E+00 .4578578E+00 .4560262E+00 .4542157E+00
.4524214E+00 .4506382E+00 .4488613E+00 .4470860E+00 .4453077E+00
.4435224E+00 .4417259E+00 .4399148E+00 .4380857E+00 .4362357E+00
.4343624E+00 .4324636E+00 .4305376E+00 .4285833E+00 .4265998E+00
.4245868E+00 .4225444E+00 .4204730E+00 .4183735E+00 .4162473E+00
.4140961E+00 .4119218E+00 .4097269E+00 .4075140E+00 .4052859E+00
.4030459E+00 .4007974E+00 .3985437E+00 .3962887E+00 .3940360E+00
.3917894E+00 .3895527E+00 .3873296E+00 .3851239E+00 .3829392E+00
.3807788E+00 .3786461E+00 .3765442E+00 .3744759E+00 .3724437E+00
.3704501E+00 .3684971E+00 .3665863E+00 .3647192E+00 .3628969E+00
.3611200E+00 .3593889E+00 .3577037E+00 .3560640E+00 .3544693E+00
.3529186E+00 .3514106E+00 .3499436E+00 .3485160E+00 .3471256E+00
.3457701E+00 .3444468E+00 .3431533E+00 .3418865E+00 .3406436E+00
.3394214E+00 .3382168E+00 .3370268E+00 .3358480E+00 .3346776E+00
.3335122E+00 .3323491E+00 .3311854E+00 .3300183E+00 .3288454E+00
.3276643E+00 .3264728E+00 .3252691E+00 .3240515E+00 .3228186E+00
.3215693E+00 .3203027E+00 .3190183E+00 .3177158E+00 .3163951E+00
.3150565E+00 .3137006E+00 .3123280E+00 .3109400E+00 .3095376E+00
.3081224E+00 .3066962E+00 .3052606E+00 .3038179E+00 .3023701E+00
.3009196E+00 .2994686E+00 .2980198E+00 .2965754E+00 .2951380E+00
.2937101E+00 .2922942E+00 .2908926E+00 .2895076E+00 .2881414E+00
.2867961E+00 .2854736E+00 .2841757E+00 .2829039E+00 .2816596E+00
.2804439E+00 .2792579E+00 .2781022E+00 .2769774E+00 .2758836E+00
.2748210E+00 .2737893E+00 .2727881E+00 .2718167E+00 .2708742E+00
.2699596E+00 .2690716E+00 .2682087E+00 .2673693E+00 .2665517E+00
.2657539E+00 .2649739E+00 .2642097E+00 .2634590E+00 .2627197E+00
.2619895E+00 .2612660E+00 .2605472E+00 .2598307E+00 .2591145E+00
.2583963E+00 .2576743E+00 .2569466E+00 .2562115E+00 .2554672E+00
.2547125E+00 .2539459E+00 .2531664E+00 .2523731E+00 .2515652E+00
.2507422E+00 .2499038E+00 .2490498E+00 .2481802E+00 .2472953E+00
.2463957E+00 .2454817E+00 .2445544E+00 .2436146E+00 .2426634E+00
.2417020E+00 .2407319E+00 .2397544E+00 .2387712E+00 .2377839E+00
.2367941E+00 .2358036E+00 .2348141E+00 .2338274E+00 .2328453E+00
.2318694E+00 .2309014E+00 .2299429E+00 .2289954E+00 .2280604E+00
.2271392E+00 .2262328E+00 .2253425E+00 .2244691E+00 .2236134E+00
.2227760E+00 .2219574E+00 .2211578E+00 .2203774E+00 .2196161E+00
.2188738E+00 .2181500E+00 .2174443E+00 .2167560E+00 .2160844E+00
.2154283E+00 .2147869E+00 .2141589E+00 .2135431E+00 .2129382E+00
.2123426E+00 .2117549E+00 .2111737E+00 .2105973E+00 .2100243E+00
.2094530E+00 .2088819E+00 .2083095E+00 .2077345E+00 .2071553E+00
.2065707E+00 .2059794E+00 .2053804E+00 .2047726E+00 .2041550E+00
.2035270E+00 .2028879E+00 .2022371E+00 .2015744E+00 .2008994E+00
.2002120E+00 .1995124E+00 .1988007E+00 .1980773E+00 .1973427E+00
.1965973E+00 .1958421E+00 .1950777E+00 .1943052E+00 .1935256E+00
.1927400E+00 .1919495E+00 .1911555E+00 .1903592E+00 .1895620E+00
.1887651E+00 .1879701E+00 .1871781E+00 .1863906E+00 .1856088E+00
.1848341E+00 .1840676E+00 .1833104E+00 .1825638E+00 .1818285E+00
.1811057E+00 .1803959E+00 .1797000E+00 .1790186E+00 .1783520E+00
.1777006E+00 .1770647E+00 .1764443E+00 .1758395E+00 .1752501E+00
.1746758E+00 .1741163E+00 .1735711E+00 .1730397E+00 .1725213E+00
.1720152E+00 .1715206E+00 .1710367E+00 .1705623E+00 .1700966E+00
.1696385E+00 .1691870E+00 .1687409E+00 .1682992E+00 .1678608E+00
.1674246E+00 .1669897E+00 .1665549E+00 .1661194E+00 .1656823E+00
.1652428E+00 .1648000E+00 .1643534E+00 .1639023E+00 .1634462E+00
.1629848E+00 .1625177E+00 .1620448E+00 .1615659E+00 .1610811E+00
.1605904E+00 .1600940E+00 .1595923E+00 .1590856E+00 .1585743E+00
.1580591E+00 .1575405E+00 .1570193E+00 .1564962E+00 .1559720E+00
.1554474E+00 .1549235E+00 .1544012E+00 .1538812E+00 .1533646E+00
.1528522E+00 .1523450E+00 .1518438E+00 .1513495E+00 .1508629E+00
.1503847E+00 .1499157E+00 .1494564E+00 .1490074E+00 .1485692E+00
.1481423E+00 .1477269E+00 .1473232E+00 .1469315E+00 .1465518E+00
.1461840E+00 .1458280E+00 .1454836E+00 .1451505E+00 .1448283E+00
.1445165E+00 .1442146E+00 .1439219E+00 .1436379E+00 .1433616E+00
.1430924E+00 .1428295E+00 .1425718E+00 .1423186E+00 .1420689E+00
.1418219E+00 .1415765E+00 .1413318E+00 .1410870E+00 .1408412E+00
.1405935E+00 .1403430E+00 .1400891E+00 .1398310E+00 .1395681E+00
.1392997E+00 .1390253E+00 .1387445E+00 .1384568E+00 .1381621E+00
.1378600E+00 .1375504E+00 .1372332E+00 .1369085E+00 .1365764E+00
.1362370E+00 .1358906E+00 .1355376E+00 .1351782E+00 .1348130E+00
.1344424E+00 .1340670E+00 .1336874E+00 .1333042E+00 .1329180E+00
.1325296E+00 .1321396E+00 .1317488E+00 .1313578E+00 .1309674E+00
.1305782E+00 .1301909E+00 .1298061E+00 .1294244E+00 .1290465E+00
.1286727E+00 .1283036E+00 .1279396E+00 .1275810E+00 .1272281E+00
.1268811E+00 .1265402E+00 .1262055E+00 .1258769E+00 .1255544E+00
.1252380E+00 .1249273E+00 .1246222E+00 .1243224E+00 .1240275E+00
.1237370E+00 .1234505E+00 .1231675E+00 .1228875E+00 .1226098E+00
.1223339E+00 .1220591E+00 .1217848E+00 .1215103E+00 .1212350E+00
.1209583E+00 .1206795E+00 .1203979E+00 .1201131E+00 .1198244E+00
.1195314E+00 .1192336E+00 .1189305E+00 .1186217E+00 .1183071E+00
.1179862E+00 .1176590E+00 .1173252E+00 .1169848E+00 .1166378E+00
.1162842E+00 .1159243E+00 .1155580E+00 .1151857E+00 .1148078E+00
.1144244E+00 .1140361E+00 .1136434E+00 .1132466E+00 .1128465E+00
.1124435E+00 .1120383E+00 .1116315E+00 .1112238E+00 .1108159E+00
.1104084E+00 .1100020E+00 .1095974E+00 .1091953E+00 .1087962E+00
.1084008E+00 .1080098E+00 .1076235E+00 .1072427E+00 .1068676E+00
.1064989E+00 .1061368E+00 .1057817E+00 .1054338E+00 .1050934E+00
.1047607E+00 .1044358E+00 .1041187E+00 .1038094E+00 .1035078E+00
.1032139E+00 .1029274E+00 .1026482E+00 .1023760E+00 .1021104E+00
.1018511E+00 .1015978E+00 .1013499E+00 .1011072E+00 .1008690E+00
.1006349E+00 .1004045E+00 .1001773E+00 .9995268E-01 .9973025E-01
.9950950E-01 .9928998E-01 .9907123E-01 .9885283E-01 .9863439E-01
.9841554E-01 .9819596E-01 .9797535E-01 .9775347E-01 .9753012E-01
.9730514E-01 .9707842E-01 .9684991E-01 .9661959E-01 .9638749E-01
.9615370E-01 .9591834E-01 .9568158E-01 .9544363E-01 .9520473E-01
.9496518E-01 .9472528E-01 .9448539E-01 .9424588E-01 .9400715E-01
.9376960E-01 .9353367E-01 .9329979E-01 .9306839E-01 .9283992E-01
.9261480E-01 .9239346E-01 .9217631E-01 .9196372E-01 .9175607E-01
.9155367E-01 .9135685E-01 .9116586E-01 .9098092E-01 .9080225E-01
.9062997E-01 .9046420E-01 .9030500E-01 .9015239E-01 .9000633E-01
.8986676E-01 .8973355E-01 .8960655E-01 .8948555E-01 .8937029E-01
.8926049E-01 .8915583E-01 .8905594E-01 .8896044E-01 .8886889E-01
.8878085E-01 .8869587E-01 .8861345E-01 .8853311E-01 .8845435E-01
.8837667E-01 .8829956E-01 .8822254E-01 .8814512E-01 .8806684E-01
.8798724E-01 .8790590E-01 .8782240E-01 .8773638E-01 .8764747E-01
.8755537E-01 .8745980E-01 .8736052E-01 .8725732E-01 .8715004E-01
.8703856E-01 .8692280E-01 .8680273E-01 .8667834E-01 .8654967E-01
.8641682E-01 .8627989E-01 .8613904E-01 .8599445E-01 .8584634E-01
.8569495E-01 .8554053E-01 .8538339E-01 .8522381E-01 .8506211E-01
.8489862E-01 .8473367E-01 .8456759E-01 .8440071E-01 .8423337E-01
.8406587E-01 .8389852E-01 .8373162E-01 .8356543E-01 .8340020E-01
.8323616E-01 .8307351E-01 .8291240E-01 .8275298E-01 .8259535E-01
.8243958E-01 .8228571E-01 .8213374E-01 .8198363E-01 .8183533E-01
.8168873E-01 .8154370E-01 .8140008E-01 .8125769E-01 .8111630E-01
.8097568E-01 .8083556E-01 .8069566E-01 .8055569E-01 .8041532E-01
.8027425E-01 .8013213E-01 .7998863E-01 .7984343E-01 .7969619E-01
.7954659E-01 .7939432E-01 .7923909E-01 .7908061E-01 .7891863E-01
.7875292E-01 .7858325E-01 .7840945E-01 .7823137E-01 .7804888E-01
.7786189E-01 .7767035E-01 .7747424E-01 .7727356E-01 .7706837E-01
.7685876E-01 .7664483E-01 .7642675E-01 .7620470E-01 .7597890E-01
.7574959E-01 .7551704E-01 .7528156E-01 .7504346E-01 .7480308E-01
gradient corrections used for XC
4
atomic charge-density
.6000000E+01 .5991924E+01 .5968000E+01 .5928458E+01 .5873783E+01
.5804636E+01 .5721826E+01 .5626294E+01 .5519081E+01 .5401308E+01
.5274140E+01 .5138768E+01 .4996384E+01 .4848158E+01 .4695224E+01
.4538665E+01 .4379502E+01 .4218683E+01 .4057087E+01 .3895512E+01
.3734680E+01 .3575236E+01 .3417751E+01 .3262724E+01 .3110590E+01
.2961718E+01 .2816422E+01 .2674960E+01 .2537543E+01 .2404336E+01
.2275465E+01 .2151019E+01 .2031054E+01 .1915599E+01 .1804656E+01
.1698203E+01 .1596201E+01 .1498591E+01 .1405301E+01 .1316247E+01
.1231332E+01 .1150452E+01 .1073496E+01 .1000346E+01 .9308821E+00
.8649791E+00 .8025114E+00 .7433518E+00 .6873733E+00 .6344495E+00
.5844549E+00 .5372660E+00 .4927615E+00 .4508224E+00 .4113328E+00
.3741797E+00 .3392533E+00 .3064471E+00 .2756583E+00 .2467875E+00
.2197387E+00 .1944197E+00 .1707417E+00 .1486195E+00 .1279713E+00
.1087188E+00 .9078709E-01 .7410444E-01 .5860238E-01 .4421557E-01
.3088168E-01 .1854134E-01 .7137996E-02 -.3382153E-02 -.1307027E-01
-.2197498E-01 -.3014246E-01 -.3761655E-01 -.4443885E-01 -.5064879E-01
-.5628377E-01 -.6137920E-01 -.6596865E-01 -.7008387E-01 -.7375493E-01
-.7701025E-01 -.7987673E-01 -.8237978E-01 -.8454343E-01 -.8639036E-01
-.8794200E-01 -.8921857E-01 -.9023917E-01 -.9102179E-01 -.9158343E-01
-.9194008E-01 -.9210685E-01 -.9209795E-01 -.9192677E-01 -.9160593E-01
-.9114730E-01 -.9056206E-01 -.8986071E-01 -.8905314E-01 -.8814867E-01
-.8715601E-01 -.8608339E-01 -.8493853E-01 -.8372865E-01 -.8246058E-01
-.8114067E-01 -.7977492E-01 -.7836894E-01 -.7692798E-01 -.7545696E-01
-.7396049E-01 -.7244288E-01 -.7090816E-01 -.6936009E-01 -.6780218E-01
-.6623772E-01 -.6466974E-01 -.6310111E-01 -.6153445E-01 -.5997223E-01
-.5841672E-01 -.5687004E-01 -.5533413E-01 -.5381080E-01 -.5230171E-01
-.5080838E-01 -.4933223E-01 -.4787452E-01 -.4643642E-01 -.4501900E-01
-.4362322E-01 -.4224994E-01 -.4089994E-01 -.3957390E-01 -.3827243E-01
-.3699607E-01 -.3574527E-01 -.3452043E-01 -.3332187E-01 -.3214985E-01
-.3100460E-01 -.2988625E-01 -.2879491E-01 -.2773064E-01 -.2669344E-01
-.2568328E-01 -.2470010E-01 -.2374376E-01 -.2281413E-01 -.2191102E-01
-.2103423E-01 -.2018350E-01 -.1935858E-01 -.1855916E-01 -.1778493E-01
-.1703555E-01 -.1631066E-01 -.1560988E-01 -.1493281E-01 -.1427905E-01
-.1364817E-01 -.1303973E-01 -.1245328E-01 -.1188837E-01 -.1134453E-01
-.1082128E-01 -.1031815E-01 -.9834635E-02 -.9370256E-02 -.8924516E-02
-.8496919E-02 -.8086966E-02 -.7694160E-02 -.7318001E-02 -.6957994E-02
-.6613643E-02 -.6284456E-02 -.5969945E-02 -.5669624E-02 -.5383014E-02
-.5109640E-02 -.4849033E-02 -.4600732E-02 -.4364280E-02 -.4139230E-02
-.3925141E-02 -.3721581E-02 -.3528126E-02 -.3344362E-02 -.3169884E-02
-.3004294E-02 -.2847207E-02 -.2698246E-02 -.2557044E-02 -.2423244E-02
-.2296502E-02 -.2176481E-02 -.2062855E-02 -.1955311E-02 -.1853544E-02
-.1757260E-02 -.1666177E-02 -.1580023E-02 -.1498535E-02 -.1421461E-02
-.1348560E-02 -.1279601E-02 -.1214362E-02 -.1152632E-02 -.1094209E-02
-.1038901E-02 -.9865250E-03 -.9369067E-03 -.8898813E-03 -.8452924E-03
-.8029922E-03 -.7628408E-03 -.7247065E-03 -.6884652E-03 -.6540002E-03
-.6212018E-03 -.5899676E-03 -.5602015E-03 -.5318139E-03 -.5047211E-03
-.4788454E-03 -.4541146E-03 -.4304617E-03 -.4078248E-03 -.3861466E-03
-.3653744E-03 -.3454596E-03 -.3263577E-03 -.3080279E-03 -.2904326E-03
-.2735379E-03 -.2573124E-03 -.2417279E-03 -.2267585E-03 -.2123808E-03
-.1985734E-03 -.1853171E-03 -.1725941E-03 -.1603886E-03 -.1486859E-03
-.1374728E-03 -.1267370E-03 -.1164673E-03 -.1066534E-03 -.9728549E-04
-.8835453E-04 -.7985190E-04 -.7176934E-04 -.6409889E-04 -.5683280E-04
-.4996342E-04 -.4348318E-04 -.3738448E-04 -.3165968E-04 -.2630101E-04
-.2130057E-04 -.1665026E-04 -.1234178E-04 -.8366594E-05 -.4715912E-05
-.1380690E-05 .1648385E-05 .4380889E-05 .6826667E-05 .8995816E-05
.1089868E-04 .1254583E-04 .1394806E-04 .1511635E-04 .1606185E-04
.1679585E-04 .1732977E-04 .1767512E-04 .1784346E-04 .1784638E-04
.1769550E-04 .1740236E-04 .1697847E-04 .1643523E-04 .1578392E-04
.1503565E-04 .1420137E-04 .1329177E-04 .1231732E-04 .1128821E-04
.1021434E-04 .9105271E-05 .7970220E-05 .6818038E-05 .5657190E-05
.4495732E-05 .3341300E-05 .2201096E-05 .1081872E-05 -.1007170E-07
-.1068903E-05 -.2089259E-05 -.3066249E-05 -.3995460E-05 -.4872951E-05
-.5695256E-05 -.6459378E-05 -.7162783E-05 -.7803390E-05 -.8379567E-05
-.8890115E-05 -.9334259E-05 -.9711632E-05 -.1002226E-04 -.1026655E-04
-.1044527E-04 -.1055952E-04 -.1061074E-04 -.1060064E-04 -.1053125E-04
-.1040484E-04 -.1022391E-04 -.9991190E-05 -.9709605E-05 -.9382240E-05
-.9012337E-05 -.8603258E-05 -.8158474E-05 -.7681533E-05 -.7176047E-05
-.6645665E-05 -.6094054E-05 -.5524881E-05 -.4941790E-05 -.4348388E-05
-.3748223E-05 -.3144770E-05 -.2541413E-05 -.1941433E-05 -.1347990E-05
-.7641143E-06 -.1926930E-06 .3635415E-06 .9020200E-06 .1420345E-05
.1916298E-05 .2387847E-05 .2833148E-05 .3250552E-05 .3638608E-05
.3996063E-05 .4321862E-05 .4615149E-05 .4875268E-05 .5101754E-05
.5294336E-05 .5452930E-05 .5577635E-05 .5668726E-05 .5726648E-05
.5752009E-05 .5745573E-05 .5708248E-05 .5641083E-05 .5545254E-05
.5422054E-05 .5272889E-05 .5099258E-05 .4902750E-05 .4685033E-05
.4447838E-05 .4192952E-05 .3922209E-05 .3637474E-05 .3340636E-05
.3033597E-05 .2718263E-05 .2396530E-05 .2070279E-05 .1741363E-05
.1411601E-05 .1082769E-05 .7565901E-06 .4347279E-06 .1187803E-06
-.1897278E-06 -.4893503E-06 -.7787255E-06 -.1056581E-05 -.1321736E-05
-.1573110E-05 -.1809720E-05 -.2030686E-05 -.2235234E-05 -.2422693E-05
-.2592502E-05 -.2744203E-05 -.2877449E-05 -.2991993E-05 -.3087696E-05
-.3164521E-05 -.3222528E-05 -.3261877E-05 -.3282819E-05 -.3285698E-05
-.3270942E-05 -.3239061E-05 -.3190641E-05 -.3126344E-05 -.3046893E-05
-.2953079E-05 -.2845743E-05 -.2725780E-05 -.2594129E-05 -.2451766E-05
-.2299699E-05 -.2138966E-05 -.1970621E-05 -.1795736E-05 -.1615389E-05
-.1430663E-05 -.1242636E-05 -.1052380E-05 -.8609523E-06 -.6693904E-06
-.4787091E-06 -.2898946E-06 -.1039002E-06 .7835801E-07 .2560046E-06
.4282088E-06 .5941873E-06 .7532077E-06 .9045907E-06 .1047713E-05
.1182008E-05 .1306968E-05 .1422148E-05 .1527160E-05 .1621683E-05
.1705454E-05 .1778274E-05 .1840005E-05 .1890571E-05 .1929954E-05
.1958197E-05 .1975400E-05 .1981716E-05 .1977355E-05 .1962575E-05
.1937685E-05 .1903038E-05 .1859031E-05 .1806102E-05 .1744725E-05
.1675407E-05 .1598688E-05 .1515133E-05 .1425329E-05 .1329886E-05
.1229428E-05 .1124593E-05 .1016028E-05 .9043834E-06 .7903149E-06
.6744749E-06 .5575116E-06 .4400650E-06 .3227643E-06 .2062241E-06
.9104246E-07 -.2220268E-07 -.1329556E-06 -.2406854E-06 -.3448881E-06
-.4450888E-06 -.5408435E-06 -.6317408E-06 -.7174031E-06 -.7974882E-06
-.8716901E-06 -.9397399E-06 -.1001406E-05 -.1056497E-05 -.1104856E-05
-.1146368E-05 -.1180955E-05 -.1208576E-05 -.1229228E-05 -.1242945E-05
-.1249794E-05 -.1249881E-05 -.1243340E-05 -.1230342E-05 -.1211083E-05
-.1185792E-05 -.1154723E-05 -.1118155E-05 -.1076391E-05 -.1029754E-05
-.9785865E-06 -.9232478E-06 -.8641117E-06 -.8015645E-06 -.7360025E-06
-.6678298E-06 -.5974563E-06 -.5252951E-06 -.4517607E-06 -.3772663E-06
-.3022222E-06 -.2270335E-06 -.1520981E-06 -.7780468E-07 -.4531231E-08
.6735707E-07 .1375093E-06 .2055905E-06 .2712827E-06 .3342867E-06
.3943231E-06 .4511332E-06 .5044800E-06 .5541493E-06 .5999500E-06
.6417146E-06 .6793001E-06 .7125878E-06 .7414837E-06 .7659183E-06
.7858469E-06 .8012490E-06 .8121280E-06 .8185109E-06 .8204477E-06
.8180105E-06 .8112930E-06 .8004095E-06 .7854939E-06 .7666988E-06
.7441939E-06 .7181656E-06 .6888150E-06 .6563570E-06 .6210186E-06
.5830379E-06 .5426624E-06 .5001476E-06 .4557556E-06 .4097535E-06
.3624120E-06 .3140040E-06 .2648029E-06 .2150815E-06 .1651104E-06
.1151567E-06 .6548254E-07 .1634413E-07 -.3200978E-07 -.7933889E-07
-.1254125E-06 -.1700106E-06 -.2129246E-06 -.2539586E-06 -.2929298E-06
-.3296695E-06 -.3640235E-06 -.3958531E-06 -.4250348E-06 -.4514616E-06
-.4750424E-06 -.4957027E-06 -.5133849E-06 -.5280475E-06 -.5396660E-06
-.5482320E-06 -.5537533E-06 -.5562534E-06 -.5557715E-06 -.5523614E-06
-.5460915E-06 -.5370438E-06 -.5253135E-06 -.5110084E-06 -.4942475E-06
-.4751610E-06 -.4538886E-06 -.4305794E-06 -.4053904E-06 -.3784858E-06
-.3500359E-06 -.3202163E-06 -.2892065E-06 -.2571895E-06 -.2243502E-06
-.1908748E-06 -.1569497E-06 -.1227604E-06 -.8849074E-07 -.5432193E-07
-.2043159E-07 .1300703E-07 .4582593E-07 .7786312E-07 .1089634E-06
.1389788E-06 .1677699E-06 .1952055E-06 .2211639E-06 .2455330E-06
.2682108E-06 .2891060E-06 .3081379E-06 .3252369E-06 .3403447E-06
.3534142E-06 .3644097E-06 .3733072E-06 .3800935E-06 .3847672E-06
.3873375E-06 .3878247E-06 .3862593E-06 .3826824E-06 .3771446E-06
.3697062E-06 .3604362E-06 .3494121E-06 .3367195E-06 .3224511E-06
.3067067E-06 .2895919E-06 .2712181E-06 .2517012E-06 .2311617E-06
.2097232E-06 .1875123E-06 .1646575E-06 .1412890E-06 .1175373E-06
.9353300E-07 .6940615E-07 .4528528E-07 .2129695E-07 -.2434953E-08
-.2578976E-07 -.4865066E-07 -.7090522E-07 -.9244588E-07 -.1131705E-06
-.1329827E-06 -.1517925E-06 -.1695164E-06 -.1860777E-06 -.2014073E-06
-.2154433E-06 -.2281315E-06 -.2394258E-06 -.2492877E-06 -.2576871E-06
-.2646018E-06 -.2700178E-06 -.2739290E-06 -.2763373E-06 -.2772526E-06
-.2766922E-06 -.2746810E-06 -.2712511E-06 -.2664415E-06 -.2602979E-06
-.2528723E-06 -.2442226E-06 -.2344123E-06 -.2235101E-06 -.2115891E-06
-.1987271E-06 -.1850055E-06 -.1705088E-06 -.1553247E-06 -.1395430E-06
-.1232553E-06 -.1065547E-06 -.8953488E-07 -.7229003E-07 -.5491401E-07
-.3750006E-07 -.2014025E-07 -.2925026E-08 .1405724E-07 .3072066E-07
.4698229E-07 .6276246E-07 .7798519E-07 .9257850E-07 .1064748E-06
.1196109E-06 .1319289E-06 .1433756E-06 .1539033E-06 .1634699E-06
.1720386E-06 .1795788E-06 .1860652E-06 .1914789E-06 .1958065E-06
.1990406E-06 .2011797E-06 .2022279E-06 .2021951E-06 .2010967E-06
.1989532E-06 .1957907E-06 .1916400E-06 .1865366E-06 .1805206E-06
.1736363E-06 .1659319E-06 .1574593E-06 .1482735E-06 .1384327E-06
.1279977E-06 .1170313E-06 .1055987E-06 .9376615E-07 .8160144E-07
.6917303E-07 .5654984E-07 .4380088E-07 .3099485E-07 .1819984E-07
.5482926E-08 -.7090134E-08 -.1945524E-07 -.3155026E-07 -.4331531E-07
-.5469309E-07 -.6562906E-07 -.7607177E-07 -.8597304E-07 -.9528817E-07
-.1039762E-06 -.1119998E-06 -.1193259E-06 -.1259253E-06 -.1317732E-06
-.1368489E-06 -.1411361E-06 -.1446228E-06 -.1473014E-06 -.1491686E-06
-.1502254E-06 -.1504771E-06 -.1499330E-06 -.1486067E-06 -.1465155E-06
-.1436804E-06 -.1401264E-06 -.1358814E-06 -.1309771E-06 -.1254479E-06
-.1193309E-06 -.1126662E-06 -.1054959E-06 -.9786416E-07 -.8981719E-07
-.8140261E-07 -.7266933E-07 -.6366732E-07 -.5444725E-07 -.4506029E-07
-.3555780E-07 -.2599107E-07 -.1641107E-07 -.6868144E-08 .2588161E-08
.1190941E-07 .2104849E-07 .2995983E-07 .3859963E-07 .4692608E-07
.5489949E-07 .6248257E-07 .6964049E-07 .7634112E-07 .8255510E-07
.8825600E-07 .9342041E-07 .9802802E-07 .1020617E-06 .1055075E-06
.1083549E-06 .1105964E-06 .1122279E-06 .1132486E-06 .1136609E-06
.1134701E-06 .1126850E-06 .1113170E-06 .1093808E-06 .1068934E-06
.1038749E-06 .1003477E-06 .9633653E-07 .9186842E-07 .8697241E-07
.8167941E-07 .7602201E-07 .7003429E-07 .6375165E-07 .5721059E-07
.5044853E-07 .4350359E-07 .3641438E-07 .2921982E-07 .2195891E-07
.1467055E-07 .7393302E-08 .1652322E-09 -.6976311E-08 -.1399488E-07
-.2085509E-07 -.2752282E-07 -.3396536E-07 -.4015159E-07 -.4605206E-07
-.5163922E-07 -.5688744E-07 -.6177320E-07 -.6627515E-07 -.7037420E-07
-.7405359E-07 -.7729896E-07 -.8009838E-07 -.8244242E-07 -.8432412E-07
-.8573903E-07 -.8668523E-07 -.8716324E-07 -.8717607E-07 -.8672912E-07
-.8583016E-07 -.8448922E-07 -.8271857E-07 -.8053258E-07 -.7794764E-07
-.7498207E-07 -.7165594E-07 -.6799102E-07 -.6401059E-07 -.5973933E-07
-.5520313E-07 -.5042901E-07 -.4544490E-07 -.4027950E-07 -.3496214E-07
-.2952259E-07 -.2399090E-07 -.1839725E-07 -.1277178E-07 -.7144444E-08
-.1544825E-08 .3997988E-08 .9455557E-08 .1480023E-07 .2000530E-07
.2504507E-07 .2989506E-07 .3453206E-07 .3893422E-07 .4308121E-07
.4695425E-07 .5053622E-07 .5381169E-07 .5676705E-07 .5939048E-07
.6167204E-07 .6360369E-07 .6517930E-07 .6639468E-07 .6724756E-07
.6773759E-07 .6786633E-07 .6763718E-07 .6705540E-07 .6612803E-07
.6486381E-07 .6327315E-07 .6136807E-07 .5916206E-07 .5667005E-07
.5390829E-07 .5089423E-07 .4764648E-07 .4418463E-07 .4052917E-07
.3670139E-07 .3272320E-07 .2861709E-07 .2440593E-07 .2011290E-07
.1576135E-07 .1137466E-07 .6976126E-08 .2588871E-08 -.1764314E-08
-.6061061E-08 -.1027954E-07 -.1439856E-07 -.1839767E-07 -.2225728E-07
-.2595871E-07 -.2948431E-07 -.3281750E-07 -.3594291E-07 -.3884637E-07
-.4151504E-07 -.4393739E-07 -.4610333E-07 -.4800418E-07 -.4963274E-07
-.5098328E-07 -.5205161E-07 -.5283504E-07 -.5333238E-07 -.5354397E-07
-.5347163E-07 -.5311865E-07 -.5248976E-07 -.5159110E-07 -.5043017E-07
-.4901574E-07 -.4735788E-07 -.4546781E-07 -.4335788E-07 -.4104146E-07
-.3853292E-07 -.3584745E-07 -.3300107E-07 -.3001047E-07 -.2689293E-07
-.2366624E-07 -.2034857E-07 -.1695841E-07 -.1351440E-07 -.1003531E-07
-.6539864E-08 -.3046688E-08 .4258082E-09 .3859523E-08 .7236757E-08
.1054030E-07 .1375352E-07 .1686044E-07 .1984581E-07 .2269520E-07
.2539504E-07 .2793269E-07 .3029652E-07 .3247589E-07 .3446130E-07
.3624432E-07 .3781770E-07 .3917534E-07 .4031238E-07 .4122512E-07
.4191110E-07 .4236907E-07 .4259900E-07 .4260204E-07 .4238054E-07
.4193798E-07 .4127899E-07 .4040926E-07 .3933555E-07 .3806562E-07
.3660816E-07 .3497276E-07 .3316984E-07 .3121062E-07 .2910697E-07
.2687144E-07 .2451710E-07 .2205755E-07 .1950677E-07 .1687908E-07
.1418907E-07 .1145149E-07 .8681200E-08 .5893088E-08 .3101978E-08
.3225679E-09 -.2430654E-08 -.5143480E-08 -.7802050E-08 -.1039293E-07
24.3774652526681130 T
Non local Part
0 2 1.22610853549470922
-0.414558997609958957 3.56222575762012417 3.56222575762012417 4.42604303479656558
Reciprocal Space Part
.1452002E+01 .1455246E+01 .1464924E+01 .1480879E+01 .1502846E+01
.1530461E+01 .1563262E+01 .1600694E+01 .1642114E+01 .1686800E+01
.1733958E+01 .1782732E+01 .1832212E+01 .1881449E+01 .1929465E+01
.1975268E+01 .2017862E+01 .2056265E+01 .2089526E+01 .2116733E+01
.2137034E+01 .2149653E+01 .2153896E+01 .2149174E+01 .2135009E+01
.2111048E+01 .2077070E+01 .2032994E+01 .1978884E+01 .1914953E+01
.1841560E+01 .1759211E+01 .1668549E+01 .1570353E+01 .1465519E+01
.1355055E+01 .1240059E+01 .1121707E+01 .1001229E+01 .8798942E+00
.7589833E+00 .6397711E+00 .5235024E+00 .4113709E+00 .3044980E+00
.2039136E+00 .1105378E+00 .2516586E-01 -.5154560E-01 -.1190885E+00
-.1771110E+00 -.2254212E+00 -.2639885E+00 -.2929406E+00 -.3125582E+00
-.3232660E+00 -.3256207E+00 -.3202973E+00 -.3080721E+00 -.2898041E+00
-.2664159E+00 -.2388721E+00 -.2081588E+00 -.1752621E+00 -.1411478E+00
-.1067417E+00 -.7291191E-01 -.4045230E-01 -.1006894E-01 .1763143E-01
.4215003E-01 .6310185E-01 .8021848E-01 .9334812E-01 .1024527E+00
.1076021E+00 .1089667E+00 .1068067E+00 .1014602E+00 .9333012E-01
.8286945E-01 .7056615E-01 .5692791E-01 .4246698E-01 .2768574E-01
.1306311E-01 -.9576220E-03 -.1397944E-01 -.2566042E-01 -.3572049E-01
-.4394620E-01 -.5019327E-01 -.5438701E-01 -.5652074E-01 -.5665222E-01
-.5489843E-01 -.5142879E-01 -.4645716E-01 -.4023289E-01 -.3303121E-01
Real Space Part
.1443785E+02 .1447419E+02 .1458187E+02 .1475688E+02 .1499268E+02
.1528038E+02 .1560901E+02 .1596583E+02 .1633672E+02 .1670656E+02
.1705971E+02 .1738043E+02 .1765335E+02 .1786392E+02 .1799877E+02
.1804616E+02 .1799626E+02 .1784144E+02 .1757645E+02 .1719858E+02
.1670774E+02 .1610641E+02 .1539959E+02 .1459462E+02 .1370103E+02
.1273021E+02 .1169516E+02 .1061010E+02 .9490116E+01 .8350808E+01
.7207865E+01 .6076715E+01 .4972162E+01 .3908062E+01 .2897034E+01
.1950212E+01 .1077050E+01 .2851771E+00 -.4196937E+00 -.1033804E+01
-.1555331E+01 -.1984325E+01 -.2322600E+01 -.2573581E+01 -.2742124E+01
-.2834306E+01 -.2857201E+01 -.2818637E+01 -.2726961E+01 -.2590799E+01
-.2418827E+01 -.2219563E+01 -.2001178E+01 -.1771326E+01 -.1537013E+01
-.1304487E+01 -.1079158E+01 -.8655582E+00 -.6673162E+00 -.4871712E+00
-.3270041E+00 -.1878912E+00 -.7017637E-01 .2644519E-01 .1028323E+00
.1602982E+00 .2005097E+00 .2253867E+00 .2370074E+00 .2375206E+00
.2290665E+00 .2137094E+00 .1933811E+00 .1698375E+00 .1446268E+00
.1190693E+00 .9424893E-01 .7101376E-01 .4998537E-01 .3157512E-01
.1600567E-01 .3336377E-02 -.6509104E-02 -.1371435E-01 -.1854215E-01
-.2130798E-01 -.2235583E-01 -.2203704E-01 -.2069259E-01 -.1863904E-01
-.1615813E-01 -.1348998E-01 -.1082956E-01 -.8325996E-02 -.6084356E-02
-.4169366E-02 -.2610505E-02 -.1408019E-02 -.5393608E-03 .3435622E-04
Reciprocal Space Part
.3267581E+01 .3249492E+01 .3195431E+01 .3106012E+01 .2982253E+01
.2825560E+01 .2637717E+01 .2420862E+01 .2177467E+01 .1910303E+01
.1622417E+01 .1317090E+01 .9977999E+00 .6681820E+00 .3319828E+00
-.6985638E-02 -.3448928E+00 -.6779388E+00 -.1002403E+01 -.1314693E+01
-.1611391E+01 -.1889302E+01 -.2145493E+01 -.2377338E+01 -.2582550E+01
-.2759216E+01 -.2905819E+01 -.3021263E+01 -.3104884E+01 -.3156461E+01
-.3176210E+01 -.3164787E+01 -.3123267E+01 -.3053124E+01 -.2956210E+01
-.2834714E+01 -.2691128E+01 -.2528200E+01 -.2348885E+01 -.2156296E+01
-.1953647E+01 -.1744199E+01 -.1531200E+01 -.1317836E+01 -.1107173E+01
-.9021073E+00 -.7053211E+00 -.5192387E+00 -.3459920E+00 -.1873907E+00
-.4490000E-01 .8037453E-01 .1876945E+00 .2766886E+00 .3473450E+00
.3999966E+00 .4352993E+00 .4542048E+00 .4579269E+00 .4479047E+00
.4257607E+00 .3932574E+00 .3522523E+00 .3046521E+00 .2523678E+00
.1972719E+00 .1411572E+00 .8570088E-01 .3243097E-01 -.1730050E-01
-.6233988E-01 -.1017480E+00 -.1348104E+00 -.1610413E+00 -.1801818E+00
-.1921924E+00 -.1972401E+00 -.1956810E+00 -.1880384E+00 -.1749784E+00
-.1572819E+00 -.1358159E+00 -.1115034E+00 -.8529315E-01 -.5813109E-01
-.3093247E-01 -.4556816E-02 .2021439E-01 .4269654E-01 .6231697E-01
.7862595E-01 .9130355E-01 .1001622E+00 .1051451E+00 .1063214E+00
.1038764E+00 .9810047E-01 .8937411E-01 .7815122E-01 .6494120E-01
Real Space Part
-.3095198E+02 -.3096964E+02 -.3102088E+02 -.3110054E+02 -.3120021E+02
-.3130853E+02 -.3141155E+02 -.3149328E+02 -.3153615E+02 -.3152171E+02
-.3143121E+02 -.3124628E+02 -.3094960E+02 -.3052551E+02 -.2996055E+02
-.2924405E+02 -.2836849E+02 -.2732985E+02 -.2612784E+02 -.2476603E+02
-.2325181E+02 -.2159634E+02 -.1981424E+02 -.1792334E+02 -.1594424E+02
-.1389980E+02 -.1181460E+02 -.9714355E+01 -.7625265E+01 -.5573411E+01
-.3584127E+01 -.1681416E+01 .1125910E+00 .1778111E+01 .3298116E+01
.4658657E+01 .5849095E+01 .6862242E+01 .7694405E+01 .8345343E+01
.8818129E+01 .9118941E+01 .9256775E+01 .9243107E+01 .9091495E+01
.8817166E+01 .8436567E+01 .7966918E+01 .7425769E+01 .6830582E+01
.6198330E+01 .5545153E+01 .4886045E+01 .4234602E+01 .3602824E+01
.3000974E+01 .2437498E+01 .1918997E+01 .1450250E+01 .1034288E+01
.6725093E+00 .3648225E+00 .1098231E+00 -.9501426E-01 -.2531315E+00
-.3686791E+00 -.4463101E+00 -.4909838E+00 -.5077831E+00 -.5017503E+00
-.4777446E+00 -.4403233E+00 -.3936476E+00 -.3414145E+00 -.2868121E+00
-.2324980E+00 -.1805991E+00 -.1327286E+00 -.9001902E-01 -.5316663E-01
-.2248474E-01 .2037275E-02 .2067257E-01 .3389546E-01 .4232255E-01
.4665828E-01 .4764639E-01 .4602835E-01 .4250945E-01 .3773265E-01
.3226014E-01 .2656219E-01 .2101239E-01 .1588869E-01 .1137894E-01
.7590036E-02 .4559534E-02 .2268712E-02 .6561628E-03 -.3689117E-03
Non local Part
1 2 1.22610853549470922
5.16247040616121833 31.6577515878667484 31.6577515878667484 -416.999270426389558
Reciprocal Space Part
.0000000E+00 -.4112895E-01 -.7705086E-01 -.1027098E+00 -.1133482E+00
-.1046457E+00 -.7284720E-01 -.1487504E-01 .7157614E-01 .1879654E+00
.3348537E+00 .5118763E+00 .7177390E+00 .9502401E+00 .1206315E+01
.1482105E+01 .1773046E+01 .2073978E+01 .2379268E+01 .2682946E+01
.2978851E+01 .3260785E+01 .3522660E+01 .3758655E+01 .3963352E+01
.4131879E+01 .4260022E+01 .4344336E+01 .4382226E+01 .4372016E+01
.4312986E+01 .4205396E+01 .4050482E+01 .3850423E+01 .3608295E+01
.3328001E+01 .3014178E+01 .2672094E+01 .2307524E+01 .1926626E+01
.1535796E+01 .1141533E+01 .7502922E+00 .3683521E+00 .1678993E-02
-.3441933E+00 -.6642730E+00 -.9542054E+00 -.1210350E+01 -.1429840E+01
-.1610621E+01 -.1751475E+01 -.1852016E+01 -.1912672E+01 -.1934648E+01
-.1919874E+01 -.1870930E+01 -.1790967E+01 -.1683616E+01 -.1552881E+01
-.1403040E+01 -.1238533E+01 -.1063852E+01 -.8834446E+00 -.7016054E+00
-.5223913E+00 -.3495376E+00 -.1863892E+00 -.3584332E-01 .9969377E-01
.2183355E+00 .3187299E+00 .4000599E+00 .4620306E+00 .5048442E+00
.5291626E+00 .5360620E+00 .5269776E+00 .5036436E+00 .4680279E+00
.4222649E+00 .3685880E+00 .3092631E+00 .2465253E+00 .1825212E+00
.1192557E+00 .5854715E-01 .1990381E-02 -.4907229E-01 -.9357053E-01
-.1307167E+00 -.1600080E+00 -.1812199E+00 -.1943921E+00 -.1998083E+00
-.1979692E+00 -.1895615E+00 -.1754232E+00 -.1565069E+00 -.1338420E+00
Real Space Part
.0000000E+00 -.3707091E+01 -.7319077E+01 -.1074336E+02 -.1389226E+02
-.1668536E+02 -.1905153E+02 -.2093074E+02 -.2227562E+02 -.2305253E+02
-.2324235E+02 -.2284080E+02 -.2185842E+02 -.2032001E+02 -.1826388E+02
-.1574055E+02 -.1281131E+02 -.9546348E+01 -.6022829E+01 -.2322714E+01
.1469450E+01 .5268765E+01 .8992169E+01 .1256052E+02 .1590048E+02
.1894626E+02 .2164099E+02 .2393790E+02 .2580115E+02 .2720630E+02
.2814050E+02 .2860236E+02 .2860143E+02 .2815754E+02 .2729976E+02
.2606527E+02 .2449793E+02 .2264692E+02 .2056512E+02 .1830759E+02
.1593006E+02 .1348745E+02 .1103255E+02 .8614795E+01 .6279232E+01
.4065677E+01 .2008072E+01 .1340392E+00 -.1535343E+01 -.2985572E+01
-.4208566E+01 -.5202341E+01 -.5970533E+01 -.6521811E+01 -.6869188E+01
-.7029268E+01 -.7021460E+01 -.6867172E+01 -.6589033E+01 -.6210147E+01
-.5753403E+01 -.5240865E+01 -.4693246E+01 -.4129480E+01 -.3566391E+01
-.3018463E+01 -.2497710E+01 -.2013638E+01 -.1573286E+01 -.1181345E+01
-.8403399E+00 -.5508491E+00 -.3117719E+00 -.1206094E+00 .2624262E-01
.1332030E+00 .2052270E+00 .2475485E+00 .2654497E+00 .2640634E+00
.2482103E+00 .2222728E+00 .1901060E+00 .1549827E+00 .1195711E+00
.8593982E-01 .5558754E-01 .2949118E-01 .8168202E-02 -.8251977E-02
-.1995189E-01 -.2734955E-01 -.3102507E-01 -.3165330E-01 -.2994459E-01
-.2659535E-01 -.2224899E-01 -.1746751E-01 -.1271345E-01 -.8341122E-02
Reciprocal Space Part
.0000000E+00 -.2005350E-01 -.3960480E-01 -.5816374E-01 -.7526396E-01
-.9047404E-01 -.1034078E+00 -.1137335E+00 -.1211817E+00 -.1255514E+00
-.1267150E+00 -.1246208E+00 -.1192942E+00 -.1108366E+00 -.9942320E-01
-.8529788E-01 -.6876754E-01 -.5019437E-01 -.2998704E-01 -.8590776E-02
.1352331E-01 .3586944E-01 .5795864E-01 .7931016E-01 .9946258E-01
.1179843E+00 .1344833E+00 .1486155E+00 .1600926E+00 .1686875E+00
.1742388E+00 .1766537E+00 .1759091E+00 .1720508E+00 .1651912E+00
.1555059E+00 .1432283E+00 .1286430E+00 .1120784E+00 .9389844E-01
.7449314E-01 .5426950E-01 .3364165E-01 .1302133E-01 -.7191404E-02
-.2661691E-01 -.4490401E-01 -.6173707E-01 -.7684209E-01 -.8999157E-01
-.1010082E+00 -.1097669E+00 -.1161963E+00 -.1202778E+00 -.1220446E+00
-.1215781E+00 -.1190050E+00 -.1144918E+00 -.1082394E+00 -.1004771E+00
-.9145563E-01 -.8144058E-01 -.7070526E-01 -.5952391E-01 -.4816512E-01
-.3688573E-01 -.2592524E-01 -.1550098E-01 -.5804038E-02 .3003950E-02
.1079310E-01 .1746665E-01 .2296143E-01 .2724743E-01 .3032652E-01
.3223047E-01 .3301823E-01 .3277268E-01 .3159692E-01 .2961029E-01
.2694409E-01 .2373732E-01 .2013240E-01 .1627111E-01 .1229077E-01
.8320732E-02 .4479416E-02 .8717301E-03 -.2412901E-02 -.5301967E-02
-.7740729E-02 -.9692504E-02 -.1113841E-01 -.1207663E-01 -.1252117E-01
-.1250031E-01 -.1205467E-01 -.1123505E-01 -.1010014E-01 -.8714104E-02
Real Space Part
.0000000E+00 -.2761448E+00 -.5460363E+00 -.8035824E+00 -.1043009E+01
-.1259008E+01 -.1446870E+01 -.1602602E+01 -.1723025E+01 -.1805847E+01
-.1849711E+01 -.1854218E+01 -.1819924E+01 -.1748308E+01 -.1641721E+01
-.1503307E+01 -.1336906E+01 -.1146940E+01 -.9382866E+00 -.7161403E+00
-.4858725E+00 -.2528876E+00 -.2248392E-01 .2002796E+00 .4107049E+00
.6045630E+00 .7781855E+00 .9285375E+00 .1053271E+01 .1150754E+01
.1220088E+01 .1261089E+01 .1274268E+01 .1260778E+01 .1222355E+01
.1161240E+01 .1080098E+01 .9819223E+00 .8699364E+00 .7475000E+00
.6180102E+00 .4848113E+00 .3511100E+00 .2199005E+00 .9389967E-01
-.2450506E-01 -.1332951E+00 -.2308473E+00 -.3159465E+00 -.3877868E+00
-.4459596E+00 -.4904321E+00 -.5215165E+00 -.5398312E+00 -.5462567E+00
-.5418875E+00 -.5279820E+00 -.5059116E+00 -.4771117E+00 -.4430346E+00
-.4051073E+00 -.3646930E+00 -.3230597E+00 -.2813540E+00 -.2405812E+00
-.2015933E+00 -.1650812E+00 -.1315742E+00 -.1014444E+00 -.7491522E-01
-.5207426E-01 -.3288868E-01 -.1722284E-01 -.4857030E-02 .4493274E-02
.1115857E-01 .1549738E-01 .1787982E-01 .1867305E-01 .1822887E-01
.1687378E-01 .1490141E-01 .1256728E-01 .1008596E-01 .7630184E-02
.5331787E-02 .3284161E-02 .1545876E-02 .1451499E-03 -.9151485E-03
-.1652268E-02 -.2098379E-02 -.2295645E-02 -.2291736E-02 -.2135932E-02
-.1875897E-02 -.1555167E-02 -.1211365E-02 -.8750993E-03 -.5694818E-03
Augmentation charge
0 0 0 -1 -.232330075E+00 .839965058E+00
-.3648199E+02 -.3644794E+02 -.3634587E+02 -.3617606E+02 -.3593897E+02
-.3563529E+02 -.3526588E+02 -.3483185E+02 -.3433454E+02 -.3377555E+02
-.3315673E+02 -.3248023E+02 -.3174850E+02 -.3096428E+02 -.3013062E+02
-.2925088E+02 -.2832872E+02 -.2736810E+02 -.2637325E+02 -.2534863E+02
-.2429897E+02 -.2322914E+02 -.2214419E+02 -.2104926E+02 -.1994953E+02
-.1885021E+02 -.1775644E+02 -.1667324E+02 -.1560550E+02 -.1455786E+02
-.1353473E+02 -.1254019E+02 -.1157796E+02 -.1065138E+02 -.9763364E+01
-.8916389E+01 -.8112470E+01 -.7353151E+01 -.6639512E+01 -.5972166E+01
-.5351283E+01 -.4776600E+01 -.4247457E+01 -.3762818E+01 -.3321317E+01
-.2921292E+01 -.2560827E+01 -.2237799E+01 -.1949917E+01 -.1694772E+01
-.1469875E+01 -.1272702E+01 -.1100730E+01 -.9514721E+00 -.8225110E+00
-.7115256E+00 -.6163160E+00 -.5348208E+00 -.4651337E+00 -.4055143E+00
-.3543944E+00 -.3103818E+00 -.2722604E+00 -.2389863E+00 -.2096821E+00
-.1836296E+00 -.1602584E+00 -.1391363E+00 -.1199552E+00 -.1025189E+00
-.8672879E-01 -.7257052E-01 -.6009203E-01 -.4924901E-01 -.3989126E-01
-.3187602E-01 -.2507315E-01 -.1936122E-01 -.1462701E-01 -.1076399E-01
-.7671046E-02 -.5252521E-02 -.3416794E-02 -.2076893E-02 -.1148972E-02
-.5527682E-03 -.2114627E-03 -.5189323E-04 -.3691351E-05 .2620075E-07
-.2358552E-08 -.4376913E-09 .1192784E-09 -.4889790E-11 -.2642780E-11
.6314051E-12 -.3947960E-13 -.1212810E-13 .3967752E-14 -.4585178E-15
Augmentation charge
0 0 0 -1 -.866306277E-01 .839965058E+00
-.6850659E+01 -.6848427E+01 -.6841414E+01 -.6829739E+01 -.6813019E+01
-.6791263E+01 -.6764197E+01 -.6731341E+01 -.6692532E+01 -.6647446E+01
-.6595687E+01 -.6536919E+01 -.6470755E+01 -.6396890E+01 -.6315129E+01
-.6225224E+01 -.6126971E+01 -.6020350E+01 -.5905286E+01 -.5781948E+01
-.5650358E+01 -.5510849E+01 -.5363744E+01 -.5209475E+01 -.5048543E+01
-.4881570E+01 -.4709193E+01 -.4532178E+01 -.4351285E+01 -.4167361E+01
-.3981314E+01 -.3794004E+01 -.3606335E+01 -.3419245E+01 -.3233584E+01
-.3050240E+01 -.2870026E+01 -.2693658E+01 -.2521948E+01 -.2355512E+01
-.2194895E+01 -.2040640E+01 -.1893064E+01 -.1752549E+01 -.1619349E+01
-.1493594E+01 -.1375414E+01 -.1264722E+01 -.1161443E+01 -.1065452E+01
-.9765395E+00 -.8943897E+00 -.8187865E+00 -.7492522E+00 -.6854220E+00
-.6269694E+00 -.5733823E+00 -.5242093E+00 -.4790817E+00 -.4376028E+00
-.3992528E+00 -.3638067E+00 -.3308083E+00 -.3000040E+00 -.2711256E+00
-.2438977E+00 -.2182412E+00 -.1939701E+00 -.1710766E+00 -.1494989E+00
-.1293589E+00 -.1107358E+00 -.9381210E-01 -.7863587E-01 -.6512865E-01
-.5320585E-01 -.4278216E-01 -.3376833E-01 -.2607778E-01 -.1961436E-01
-.1429158E-01 -.1000545E-01 -.6653952E-02 -.4136932E-02 -.2342592E-02
-.1151753E-02 -.4523464E-03 -.1127743E-03 -.9563918E-05 .2644181E-06
-.2380252E-07 -.4417183E-08 .1203757E-08 -.4934722E-10 -.2667114E-10
.6371579E-11 -.3973830E-12 -.1227890E-12 .4070784E-13 -.3125052E-14
Augmentation charge
0 1 1 -1 .000000000E+00 .839965058E+00
.3764938E-03 .1083102E+00 .2185688E+00 .3326570E+00 .4523238E+00
.5791248E+00 .7143678E+00 .8590632E+00 .1013887E+01 .1179153E+01
.1354789E+01 .1540337E+01 .1734958E+01 .1937439E+01 .2146231E+01
.2359475E+01 .2575054E+01 .2790640E+01 .3003753E+01 .3211819E+01
.3412235E+01 .3602431E+01 .3779929E+01 .3942403E+01 .4087729E+01
.4214031E+01 .4319724E+01 .4403539E+01 .4464547E+01 .4502176E+01
.4516212E+01 .4506791E+01 .4474394E+01 .4419822E+01 .4344170E+01
.4248795E+01 .4135281E+01 .4005398E+01 .3861062E+01 .3704292E+01
.3537165E+01 .3361783E+01 .3180228E+01 .2994531E+01 .2806639E+01
.2618389E+01 .2431487E+01 .2247486E+01 .2067777E+01 .1893582E+01
.1725941E+01 .1565725E+01 .1413625E+01 .1270171E+01 .1135731E+01
.1010530E+01 .8946534E+00 .7880692E+00 .6906361E+00 .6021195E+00
.5222056E+00 .4505143E+00 .3866118E+00 .3300232E+00 .2802428E+00
.2367437E+00 .1989869E+00 .1664287E+00 .1385270E+00 .1147477E+00
.9456841E-01 .7748237E-01 .6300699E-01 .5076972E-01 .4050014E-01
.3195143E-01 .2489688E-01 .1912992E-01 .1446353E-01 .1072976E-01
.7779099E-02 .5479342E-02 .3714945E-02 .2385463E-02 .1405576E-02
.7033249E-03 .2193012E-03 -.9475159E-04 -.2761870E-03 -.3528998E-03
-.3521637E-03 -.3050728E-03 -.2361881E-03 -.1636018E-03 -.9954240E-04
-.5065131E-04 -.1934413E-04 -.4166949E-05 -.6541684E-07 -.4674191E-08
Augmentation charge
0 1 1 -1 .000000000E+00 .839965058E+00
.2305162E-02 .6588459E+00 .1303923E+01 .1921688E+01 .2499154E+01
.3023993E+01 .3484871E+01 .3871582E+01 .4175319E+01 .4388703E+01
.4506021E+01 .4523328E+01 .4438215E+01 .4250462E+01 .3961400E+01
.3574159E+01 .3093657E+01 .2526558E+01 .1880470E+01 .1164791E+01
.3899455E+00 -.4327891E+00 -.1291537E+01 -.2173592E+01 -.3066368E+01
-.3957060E+01 -.4833225E+01 -.5682590E+01 -.6493732E+01 -.7256044E+01
-.7959851E+01 -.8596489E+01 -.9158898E+01 -.9641036E+01 -.1003829E+02
-.1034775E+02 -.1056757E+02 -.1069750E+02 -.1073884E+02 -.1069370E+02
-.1056589E+02 -.1035972E+02 -.1008116E+02 -.9736486E+01 -.9332662E+01
-.8877249E+01 -.8378327E+01 -.7843980E+01 -.7282097E+01 -.6701328E+01
-.6109298E+01 -.5513702E+01 -.4921812E+01 -.4340457E+01 -.3775700E+01
-.3233096E+01 -.2717667E+01 -.2233717E+01 -.1784487E+01 -.1372950E+01
-.1001013E+01 -.6699707E+00 -.3803907E+00 -.1321370E+00 .7560980E-01
.2443715E+00 .3762850E+00 .4740584E+00 .5410543E+00 .5811165E+00
.5986215E+00 .5984440E+00 .5857394E+00 .5641204E+00 .5353856E+00
.5011897E+00 .4630841E+00 .4224644E+00 .3806107E+00 .3386763E+00
.2976141E+00 .2582444E+00 .2212400E+00 .1871227E+00 .1562135E+00
.1287032E+00 .1045975E+00 .8376950E-01 .6591929E-01 .5056323E-01
.3740828E-01 .2645162E-01 .1764962E-01 .1091498E-01 .6071873E-02
.2872666E-02 .1035040E-02 .2144181E-03 .3993991E-05 .1621255E-06
Augmentation charge
0 0 0 -1 -.429373850E-01 .839965058E+00
-.1142226E+01 -.1143010E+01 -.1145274E+01 -.1149021E+01 -.1154110E+01
-.1160501E+01 -.1168055E+01 -.1176557E+01 -.1185871E+01 -.1195809E+01
-.1206147E+01 -.1216653E+01 -.1227077E+01 -.1237184E+01 -.1246751E+01
-.1255534E+01 -.1263288E+01 -.1269813E+01 -.1274884E+01 -.1278353E+01
-.1280004E+01 -.1279720E+01 -.1277383E+01 -.1272901E+01 -.1266209E+01
-.1257282E+01 -.1246103E+01 -.1232707E+01 -.1217134E+01 -.1199463E+01
-.1179814E+01 -.1158297E+01 -.1135053E+01 -.1110265E+01 -.1084089E+01
-.1056728E+01 -.1028373E+01 -.9991861E+00 -.9694302E+00 -.9392824E+00
-.9089155E+00 -.8785457E+00 -.8482712E+00 -.8182858E+00 -.7887383E+00
-.7597265E+00 -.7313960E+00 -.7037552E+00 -.6768604E+00 -.6507647E+00
-.6254821E+00 -.6009514E+00 -.5772436E+00 -.5541788E+00 -.5317071E+00
-.5098399E+00 -.4883799E+00 -.4671885E+00 -.4462309E+00 -.4254259E+00
-.4044961E+00 -.3835594E+00 -.3623640E+00 -.3409269E+00 -.3192057E+00
-.2970910E+00 -.2747697E+00 -.2521843E+00 -.2295535E+00 -.2069306E+00
-.1846867E+00 -.1630475E+00 -.1424160E+00 -.1230223E+00 -.1049513E+00
-.8827322E-01 -.7304565E-01 -.5930692E-01 -.4709313E-01 -.3640183E-01
-.2725173E-01 -.1959417E-01 -.1337498E-01 -.8534230E-02 -.4960365E-02
-.2498439E-02 -.1008893E-02 -.2559482E-03 -.2532659E-04 .1085124E-05
-.9768126E-07 -.1812732E-07 .4940003E-08 -.2025130E-09 -.1094532E-09
.2614655E-10 -.1633727E-11 -.5024089E-12 .1695536E-12 -.3554103E-13
Augmentation charge
0 1 1 -1 .000000000E+00 .839965058E+00
-.2157580E-03 -.6166934E-01 -.1220524E+00 -.1798984E+00 -.2339869E+00
-.2831902E+00 -.3264662E+00 -.3628649E+00 -.3916082E+00 -.4120367E+00
-.4236374E+00 -.4260922E+00 -.4192190E+00 -.4029971E+00 -.3776288E+00
-.3434251E+00 -.3008461E+00 -.2505446E+00 -.1932323E+00 -.1297850E+00
-.6109520E-01 .1177717E-01 .8779823E-01 .1658704E+00 .2449015E+00
.3237909E+00 .4014927E+00 .4769898E+00 .5493643E+00 .6177332E+00
.6813119E+00 .7394508E+00 .7915819E+00 .8372375E+00 .8760957E+00
.9079224E+00 .9326101E+00 .9501846E+00 .9607030E+00 .9643738E+00
.9614915E+00 .9523945E+00 .9375429E+00 .9173902E+00 .8924527E+00
.8632919E+00 .8304519E+00 .7945585E+00 .7561834E+00 .7158876E+00
.6742205E+00 .6317435E+00 .5888957E+00 .5462124E+00 .5041035E+00
.4628946E+00 .4229746E+00 .3846369E+00 .3480922E+00 .3135152E+00
.2811219E+00 .2509240E+00 .2230424E+00 .1974631E+00 .1741633E+00
.1531178E+00 .1341819E+00 .1172792E+00 .1022306E+00 .8890273E-01
.7706438E-01 .6652875E-01 .5706540E-01 .4854427E-01 .4091685E-01
.3413465E-01 .2814731E-01 .2290377E-01 .1834895E-01 .1443185E-01
.1109336E-01 .8284474E-02 .5953615E-02 .4047312E-02 .2519677E-02
.1329724E-02 .4325567E-03 -.2028551E-03 -.6111769E-03 -.8116926E-03
-.8434396E-03 -.7606239E-03 -.6129974E-03 -.4419712E-03 -.2798893E-03
-.1482301E-03 -.5891095E-04 -.1320489E-04 -.2270602E-06 -.1308509E-07
Augmentation charge
0 1 1 -1 .000000000E+00 .839965058E+00
.1667299E-02 .4773368E+00 .9494122E+00 .1411089E+01 .1857259E+01
.2283137E+01 .2684156E+01 .3055927E+01 .3394697E+01 .3696998E+01
.3959777E+01 .4180642E+01 .4357561E+01 .4489073E+01 .4574563E+01
.4613724E+01 .4606828E+01 .4555039E+01 .4459640E+01 .4322865E+01
.4146949E+01 .3935176E+01 .3690798E+01 .3417676E+01 .3119831E+01
.2801696E+01 .2467695E+01 .2122570E+01 .1770835E+01 .1417256E+01
.1066516E+01 .7229292E+00 .3906835E+00 .7389988E-01 -.2238822E+00
-.4993216E+00 -.7495028E+00 -.9722214E+00 -.1165128E+01 -.1326746E+01
-.1456229E+01 -.1552729E+01 -.1616729E+01 -.1648361E+01 -.1648426E+01
-.1618354E+01 -.1559616E+01 -.1474757E+01 -.1366000E+01 -.1236141E+01
-.1087945E+01 -.9249384E+00 -.7497135E+00 -.5665802E+00 -.3787686E+00
-.1890176E+00 -.1459298E-02 .1804346E+00 .3541653E+00 .5169557E+00
.6652101E+00 .7980121E+00 .9124376E+00 .1007507E+01 .1082210E+01
.1135494E+01 .1168407E+01 .1180828E+01 .1174719E+01 .1151353E+01
.1114240E+01 .1066417E+01 .1012187E+01 .9541626E+00 .8931910E+00
.8301129E+00 .7657781E+00 .7009698E+00 .6365496E+00 .5732565E+00
.5119306E+00 .4531188E+00 .3974044E+00 .3453793E+00 .2973234E+00
.2533555E+00 .2136268E+00 .1778196E+00 .1456817E+00 .1163139E+00
.8959316E-01 .6595076E-01 .4580770E-01 .2948695E-01 .1707285E-01
.8406772E-02 .3152187E-02 .6795149E-03 .1369289E-04 .4230917E-06
Augmentation charge
1 1 0 -1 .173832833E+00 .839965058E+00
.4201041E-06 .3450798E-01 .1374283E+00 .3069633E+00 .5401610E+00
.8329798E+00 .1180377E+01 .1576416E+01 .2014397E+01 .2486998E+01
.2986421E+01 .3504564E+01 .4033173E+01 .4564008E+01 .5088999E+01
.5600392E+01 .6090888E+01 .6553758E+01 .6982953E+01 .7373184E+01
.7719987E+01 .8019767E+01 .8269824E+01 .8468348E+01 .8614414E+01
.8707937E+01 .8749628E+01 .8740934E+01 .8683957E+01 .8581379E+01
.8436371E+01 .8252498E+01 .8033635E+01 .7783871E+01 .7507421E+01
.7208547E+01 .6891481E+01 .6560355E+01 .6219147E+01 .5871624E+01
.5521307E+01 .5171435E+01 .4824943E+01 .4484446E+01 .4152237E+01
.3830280E+01 .3520219E+01 .3223392E+01 .2940840E+01 .2673332E+01
.2421381E+01 .2185273E+01 .1965084E+01 .1760708E+01 .1571883E+01
.1398210E+01 .1239179E+01 .1094190E+01 .9625694E+00 .8435930E+00
.7364991E+00 .6405044E+00 .5548165E+00 .4786455E+00 .4112130E+00
.3517605E+00 .2995552E+00 .2538959E+00 .2141154E+00 .1795848E+00
.1497136E+00 .1239506E+00 .1017869E+00 .8280485E-01 .6666329E-01
.5304495E-01 .4165476E-01 .3221941E-01 .2448714E-01 .1822735E-01
.1323001E-01 .9304854E-02 .6280665E-02 .4004042E-02 .2339323E-02
.1166971E-02 .3828658E-03 -.1030413E-03 -.3670997E-03 -.4732445E-03
-.4743437E-03 -.4127677E-03 -.3210272E-03 -.2233993E-03 -.1365656E-03
-.6982263E-04 -.2679489E-04 -.5800253E-05 -.9211826E-07 -.6414131E-08
Augmentation charge
1 1 0 -1 -.124485614E+01 .839965058E+00
-.1850223E-05 -.1520339E+00 -.6061191E+00 -.1356243E+01 -.2392478E+01
-.3701161E+01 -.5265095E+01 -.7063813E+01 -.9073908E+01 -.1126942E+02
-.1362217E+02 -.1610223E+02 -.1867851E+02 -.2131891E+02 -.2399112E+02
-.2666289E+02 -.2930260E+02 -.3187952E+02 -.3436462E+02 -.3673047E+02
-.3895185E+02 -.4100605E+02 -.4287310E+02 -.4453576E+02 -.4598004E+02
-.4719498E+02 -.4817286E+02 -.4890899E+02 -.4940182E+02 -.4965286E+02
-.4966628E+02 -.4944887E+02 -.4900993E+02 -.4836077E+02 -.4751450E+02
-.4648600E+02 -.4529117E+02 -.4394702E+02 -.4247135E+02 -.4088205E+02
-.3919750E+02 -.3743557E+02 -.3561428E+02 -.3375075E+02 -.3186141E+02
-.2996186E+02 -.2806679E+02 -.2618966E+02 -.2434254E+02 -.2253681E+02
-.2078206E+02 -.1908681E+02 -.1745829E+02 -.1590253E+02 -.1442420E+02
-.1302689E+02 -.1171317E+02 -.1048456E+02 -.9341421E+01 -.8283515E+01
-.7309603E+01 -.6417810E+01 -.5605621E+01 -.4869975E+01 -.4207337E+01
-.3613753E+01 -.3084959E+01 -.2616457E+01 -.2203502E+01 -.1841258E+01
-.1524783E+01 -.1249072E+01 -.1009210E+01 -.8014516E+00 -.6232166E+00
-.4719776E+00 -.3452523E+00 -.2406317E+00 -.1557672E+00 -.8838374E-01
-.3633093E-01 .2448976E-02 .2991159E-01 .4789995E-01 .5810251E-01
.6209855E-01 .6131332E-01 .5705076E-01 .5045838E-01 .4251385E-01
.3408724E-01 .2586889E-01 .1838451E-01 .1203335E-01 .7050109E-02
.3499501E-02 .1317493E-02 .2831464E-03 .5082812E-05 .2455298E-06
Augmentation charge
1 1 0 -1 .706291864E+01 .839965058E+00
.7663230E-05 .6299018E+00 .2513758E+01 .5634115E+01 .9961958E+01
.1545715E+02 .2206868E+02 .2973512E+02 .3838517E+02 .4793856E+02
.5830641E+02 .6939188E+02 .8109298E+02 .9329999E+02 .1059001E+03
.1187765E+03 .1318101E+03 .1448793E+03 .1578658E+03 .1706498E+03
.1831144E+03 .1951472E+03 .2066408E+03 .2174917E+03 .2276058E+03
.2368955E+03 .2452830E+03 .2526980E+03 .2590817E+03 .2643863E+03
.2685740E+03 .2716174E+03 .2735028E+03 .2742255E+03 .2737916E+03
.2722205E+03 .2695381E+03 .2657822E+03 .2610012E+03 .2552470E+03
.2485845E+03 .2410786E+03 .2328085E+03 .2238521E+03 .2142916E+03
.2042129E+03 .1937060E+03 .1828594E+03 .1717577E+03 .1604963E+03
.1491573E+03 .1378256E+03 .1265827E+03 .1155070E+03 .1046693E+03
.9413698E+02 .8397397E+02 .7423813E+02 .6497501E+02 .5623129E+02
.4804076E+02 .4043191E+02 .3342551E+02 .2703448E+02 .2126374E+02
.1610933E+02 .1155935E+02 .7594512E+01 .4185438E+01 .1295887E+01
-.1119179E+01 -.3113562E+01 -.4746535E+01 -.6060466E+01 -.7075230E+01
-.7812151E+01 -.8293923E+01 -.8543593E+01 -.8585629E+01 -.8445747E+01
-.8148520E+01 -.7719237E+01 -.7183631E+01 -.6567292E+01 -.5893892E+01
-.5187413E+01 -.4469650E+01 -.3761889E+01 -.3083232E+01 -.2449165E+01
-.1875258E+01 -.1372376E+01 -.9477573E+00 -.6066406E+00 -.3492905E+00
-.1710487E+00 -.6378896E-01 -.1367741E-01 -.2727628E-03 -.8767470E-05
End of Dataset
c4science · Help