[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

-- 
******************************************************************
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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