[Pw_forum] LSDA error

stefano de gironcoli degironc at sissa.it
Wed Jun 21 22:04:34 CEST 2017


this is not an error, it's a statement of what the code does and why.
stefano

On 21/06/2017 22:01, Manu Hegde wrote:
>
> Hello,
>
> I was performing 'vc-relax' calculation (LSDA) i found this message 
> after few cycles. After performing scf calculaion run stopped. (using 
> QE 5.4)
>
>
>  lsda relaxation :  a final configuration with zero
>                         absolute magnetization has been found
>
>      the program is checking if it is really the minimum energy structure
>      by performing a new scf iteration without any "electronic" history
>
>
> Thanks
> Manu Hegde
>
> (PDF, University of Waterloo)
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170621/05fececc/attachment.html>


More information about the users mailing list