[Pw_forum] scf run error

[Bramha Pandey]

can you provide your input file? it seems different pseudo-potential file
have selected. BDW input file will explain more  about your problem. You
are saying optimize (relax or vc-relax) but you are using 'scf'.

-- 
Regards
Dr. Bramha P Pandey
Asstt. Prof. ECE Deptt.
GLA University, Mathura (U.P)
India-281406.

On Sat, Mar 12, 2016 at 12:24 PM, Mr. Sushant Kumar Behera <
sushant at tezu.ernet.in> wrote:

> 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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