[Pw_forum] phonon and soc

Andrea Dal Corso dalcorso at sissa.it
Fri Oct 23 14:44:10 CEST 2015


When lspinorb is true the code produces .xml dynamical matrix files. You
have just to put the same name with .xml extension in the input of
q2r.x.

HTH,

Andrea

On Fri, 2015-10-23 at 14:40 +0200, Maedeh Zahedifar wrote:
> Dear all,
> In my calculation, which is phonon with soc, the calculation can not creat
> correct (.dyn)...... it created  (.dyn1.xml)  instead of ( .dyn1).
> 
> Would you please tell me what is my problem?
> I just only add two items in my scf input :  lspinorb = .true.,
>                                                               noncolin =
> .true.,
> 
> 
> Best,
> Maedeh Zahedifar
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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Bonomea 265              Fax. 0039-040-3787249
I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it





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