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. Cl?udio A. Perottoni
Universidade de Caxias do Sul
Centro de Ci?ncias Exatas e Tecnologia
Rua Francisco Get?lio 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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