&ATOM Z = 1 ZV = 1 XC = 1111 .666667 TYPE = NORMCONSERVING NUMERIC &END &INFO ============================================================ | Pseudopotential Report Thu Jun 20 13:04:29 1996 | ------------------------------------------------------------ | Atomic Symbol : H | | Atomic Number : 1 | | Number of core states : 0 | | Number of valence states : 1 | | Exchange-Correlation Functional : | | Slater exchange : .6667 | | LDA correlation : Ceperley-Alder | | Exchange GC : Becke (1988) | | Correlation GC : Perdew (1986) | | Electron Configuration : N L Occupation | | 1 S 1.0000 | | Full Potential Total Energy -.465489 | | Trouiller-Martins normconserving PP | | n l rc energy | | 1 S .5000 -.24372 | | 2 P .5000 -.24372 | | Number of Mesh Points : 511 | | Pseudoatom Total Energy -.465475 | ============================================================ &END &POTENTIAL 511 .62500000E-02 -7.5337486E+00 -5.6083790E+00 0.0000000E+00 -5.6089337E+00 .63593750E-02 -7.5337484E+00 -5.6083789E+00 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