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lammps/lib/qmmm/example-ec/qm-pw/pseudo/H.blyp-vbc.UPF
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<PP_INFO>
Generated using ld1 code
Author: P. Giannozzi Generation date: 2001
Info: Hydrogen BLYP 1s1 local VonBarth-Car
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
1S 0 0 1.00 0.94000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
H Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA LYP B88 BLYP BLYP Exchange-Correlation functional
1.00000000000 Z valence
0.00000000000 Total energy
60.000000 240.00000 Suggested cutoff for wfc and rho
-1 Max angular momentum component
243 Number of points in mesh
1 0 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
1S 0 1.00
</PP_HEADER>
<PP_MESH>
<PP_R>
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</PP_R>
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</PP_RAB>
</PP_MESH>
<PP_LOCAL>
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</PP_LOCAL>
<PP_NONLOCAL>
<PP_DIJ>
0 Number of nonzero Dij
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
1S 0 1.00 Wavefunction
5.54554020000E-04 5.82986610000E-04 6.12876970000E-04 6.44299850000E-04
6.77333810000E-04 7.12061460000E-04 7.48569630000E-04 7.86949610000E-04
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1.23418220000E-03 1.29745990000E-03 1.36398200000E-03 1.43391470000E-03
1.50743280000E-03 1.58472030000E-03 1.66597040000E-03 1.75138620000E-03
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2.24882130000E-03 2.36412000000E-03 2.48533000000E-03 2.61275440000E-03
2.74671180000E-03 2.88753710000E-03 3.03558240000E-03 3.19121790000E-03
3.35483260000E-03 3.52683560000E-03 3.70765680000E-03 3.89774840000E-03
4.09758560000E-03 4.30766780000E-03 4.52852040000E-03 4.76069520000E-03
5.00477270000E-03 5.26136290000E-03 5.53110720000E-03 5.81467960000E-03
6.11278900000E-03 6.42618010000E-03 6.75563630000E-03 7.10198060000E-03
7.46607830000E-03 7.84883910000E-03 8.25121910000E-03 8.67422330000E-03
9.11890810000E-03 9.58638400000E-03 1.00778180000E-02 1.05944370000E-02
1.11375300000E-02 1.17084530000E-02 1.23086300000E-02 1.29395580000E-02
1.36028100000E-02 1.43000400000E-02 1.50329850000E-02 1.58034710000E-02
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4.51617100000E-05 2.52728030000E-05 1.37215790000E-05 7.21649280000E-06
3.67023340000E-06 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_PSWFC>
<PP_RHOATOM>
3.07530161098E-07 3.39873387439E-07 3.75618180356E-07 4.15122296710E-07
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4.64469393609E-04 2.80236170946E-04 1.64418686082E-04 9.36837978993E-05
5.17679746350E-05 2.77017016135E-05 1.43327851558E-05 7.15855335454E-06
3.44536409903E-06 1.59499471076E-06 7.08730061182E-07 3.01556694542E-07
1.22613412238E-07 4.75520040442E-08 1.75503436468E-08 6.14885310023E-09
2.03958005012E-09 6.38714571477E-10 1.88281730253E-10 5.20777683325E-11
1.34706132105E-11 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_RHOATOM>
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