[CPMD-list] Goedecker Fe pseudo

Silviu Zilberman silviu at Princeton.EDU
Tue May 9 15:09:08 CEST 2006


Hi,

Does anyone have a Goedecker pseudopotential for Fe (PBE or BLYP)? I 
couldn't find it in the Goedecker PP library that comes with CPMD 
3.11.1. There is only Pade type PP, which (I assume) is an LDA(?).

Thanks, Silviu.



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