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scitas-examples/Modules/cpmd/H_MT_PBE
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H_MT_PBE
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&ATOM
Z = 1
ZV = 1
XC = 1134 .666667
TYPE = NORMCONSERVING LOGARITHMIC
&END
&INFO
============================================================
| Pseudopotential Report Mon Jun 3 16:31:29 2002 |
| Martins-Trouiller Type |
------------------------------------------------------------
| Atomic Symbol : H |
| Atomic Number : 1 |
| Valence Charge : 1 |
| Number of valence states : 1 |
| Exchange-Correlation Functional : |
| Slater exchange : .6667 |
| LDA correlation : Ceperley-Alder |
| Exchange GC : Perdew-Burke-Ernzerhof |
| Correlation GC : Perdew-Burke-Ernzerhof |
| n l Rc occ energy |
| 1 S .500 1.0000 -.23879 |
| Radial Functions Stored on Logarithmic Grids |
============================================================
&END
&POTENTIALS
251 LOGARITHMIC GRID
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&END
&ATDENS
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&END
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