[Pw_forum] pdos-up different from pdos-down for AFM systems

[stefano de gironcoli]

A recent commit on SVN says:
'When pw was run with different nproc and twfcollect was not true, the 
code was still running without giving error and was executing wrongly 
with missing data.Thanks to Hande Toffoli for reporting.'

A run time check has been added on the SVN version as of yesterday.

Are you using twfcollect option or are you sure you are using the same 
parallel configuration
in the pw.x and in the pp.x calculation ?

HTH

stefano


On 03/10/2015 04:29, Juliana Morbec wrote:
> Hello.
>
> I am computing pdos of AFM Ce2O3, and although I obtained total 
> magnetic moment equal to zero, the pdos up is different from pdos 
> down. Does anyone have any idea why this happens?
>
> I really appreciate any help.
>
> Best,
>
> Juliana Morbec
> Postdoc
> University of Chicago
>
>
> _______________________________________________
> 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/20151003/e36fc654/attachment.html>