[CPMD-list] how use pseudopotential in Giannozzi's format

Oleg Yazyev oleg.yazyev at epfl.ch
Sat Sep 4 09:15:05 CEST 2004


Dear Eduardo,


EAMP> question 2) Can CPMD use a Giannozzi's pseudopotential with a non-linear
EAMP> core correction?

Yes, as far as I remember (but not sure).


-- 
Best regards,
 Oleg


______________________________________________________
Oleg Yazyev
Institute of Molecular and Biological Chemistry
Swiss Federal Institute of Technology in Lausanne (EPFL)
EPFL - BCH
CH-1015 Lausanne (Switzerland)
Tel.: +41 21 693 9881
E-mail: oleg.yazyev at epfl.ch
WWW: http://icmbcu001.epfl.ch/yazyev/index.html
_______________________________________________________




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