[Pw_forum] Questions about Thermal properties calculation

xirainbow nkxirainbow at gmail.com
Mon Aug 10 03:48:39 CEST 2009


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 :)


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