[Pw_forum] [<MASS MAIL>]Re: scf run error

[Mr. Sushant Kumar Behera]

Thank you Pandey sir. I found out the mistake I have done.

regards
sushant

> 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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-- 
With Warm Regards

Sushant Kumar Behera
INSPIRE Fellow
Advanced Functional Material Laboratory
Deaprtment of Physics
Tezpur University
Tezpur, India 784028
email: sushant at tezu.ernet.in
Phone: +91-3712-275578 (Lab)
Cell:  +91-8473848729  (Mob)
http://www.tezu.ernet.in/dphy/afml/index.php


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delayed, or may contain viruses. The recipient must verify the integrity of 
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