[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)
>
>
>
>
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