[Pw_forum] phcg.x with US PPs
Claudio Perottoni
caperott at ucs.br
Wed Feb 23 14:41:50 CET 2011
Hi,
While US PPs can be used in gamma_only scf calculations with pw.x,
attempts to run phonon calculations with phcg.x returns the following
error message:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from cg_readin : error # 1
ultrasoft pseudopotential not implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Is there somebody working to implement phonon calculations with US PPs
in phcg.x? Can we expect this being implemented any time soon?
Regards,
Claudio
--
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Dr. Cláudio A. Perottoni
Universidade de Caxias do Sul
Centro de Ciências Exatas e Tecnologia
Rua Francisco Getúlio Vargas, 1130
95070-560 Caxias do Sul - RS - Brazil
Phone: +55 54 3218 2607
http://www.ucs.br/ccet/defq/caperott/
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