[CPMD-list] Au pseudopotentials

Stefano Piana piana at power.curtin.edu.au
Tue Nov 30 06:41:56 CET 2004


Does anybody has MT and/or Vanderbilt pseudopotentials for Au with the 
PBE xc functional?
I am trying to generate them with the program of Giannozzi and the 
parameters of Gronbeck et al JACS (2000) 122:3839-3842 but the pseudos 
that I generate behave a bit weird.
Thanks,

Stefano




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