[Pw_forum] scf run error

Mr. Sushant Kumar Behera sushant at tezu.ernet.in
Sat Mar 12 07:52:31 CET 2016


Hello all dear

When I try to optimize my systeme ( Co3O4) with calculation='scf' the
calculation starts, but after some times it gives the following error:
   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine set_dft_from_name (1):
      conflicting values for icorr
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...


I am a new user of QE v5.2.1. Can anybody help me to resolve this problem...
-- 
With Warm Regards

sushant


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