[Pw_forum] Questions about Thermal properties calculation

[Andrea Dal Corso]

Quoting xirainbow <nkxirainbow at gmail.com>:

> Dear Eyvaz lsaev:
>
>> The only doubt is that in the case band structure calculations turning on
> the lsym=.true. option
>> band.f90 calls sym_band.f90 which reads eigenfunctions and makes intensive
> symmerty >calculations.
> Including lsym=true makes certain additional calculation and takes more
> time.
>
>> If this takes place for phonon dispersion relations, too - so nice.
>> If not?
> Sorry, I am not familiar with QE. Therefore, I do not know the answer of
> your doubt :?
> I hope the developers can give certain explanation :?

The symmetry analysis of the displacement patterns is implemented only  
in ph.x.
Presently matdyn.x does not use symmetry and cannot do the
symmetry analysis as in bands.x.


Andrea



>
>
> ____________________________________
> Hui Wang
> School of physics, Nankai University, Tianjin, China
>



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