[Pw_forum] scf run error
Mr. Sushant Kumar Behera
sushant at tezu.ernet.in
Sat Mar 12 07:54:58 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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