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O_MT_PBE
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&ATOM
Z = 8
ZV = 6
XC = 1134 .666667
TYPE = NORMCONSERVING NUMERIC
&END
&INFO
============================================================
| Pseudopotential Report Tue Nov 12 09:58:06 1996 |
------------------------------------------------------------
| Atomic Symbol : O |
| Atomic Number : 8 |
| Number of core states : 1 |
| Number of valence states : 2 |
| Exchange-Correlation Functional : |
| Slater exchange : .6667 |
| LDA correlation : Ceperley-Alder |
| Exchange GC : Perdew-Burke-Ernzerhof |
| Correlation GC : Perdew-Burke-Ernzerhof |
| Electron Configuration : N L Occupation |
| 1 S 2.0000 |
| 2 S 2.0000 |
| 2 P 4.0000 |
| Full Potential Total Energy -74.943856 |
| Trouiller-Martins normconserving PP |
| n l rc energy |
| 2 S 1.0500 -.87882 |
| 2 P 1.0500 -.33215 |
| 3 D 1.0500 -.33215 |
| Number of Mesh Points : 631 |
| Pseudoatom Total Energy -15.773631 |
============================================================
&END
&POTENTIAL
631
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&END
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