[Pw_forum] LSDA error
Manu Hegde
mhegde at uwaterloo.ca
Wed Jun 21 22:10:20 CEST 2017
Okay, thanks. How to avoid that statement?. Which means structure is
non-magnetic?
On Wed, Jun 21, 2017 at 4:04 PM, stefano de gironcoli <degironc at sissa.it>
wrote:
> 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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