[Pw_forum] eliminating symmetry for pw2casino

Gabriele Sclauzero sclauzer at sissa.it
Tue Dec 16 13:38:16 CET 2008


Hi,

meghdad saeedian wrote:
> Hi,
> I have a question:
> How can I run scf without symmetry?

nosym=.TRUE. in the namelist &control should do the job.
Be careful when chosing the k-point grid (see warnings in Doc/INPUT_PW.txt).

> I mean: how should I make the required file?

I hope I've actually understood your question...

regards,

GS

> Best regards,
> Saeedian
> 
> 
> 
>       
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

-- 

La legge n. 133 uccide l'Università e la Ricerca italiana!

Save Italian Brains! (http://saveitalianbrains.wordpress.com/)

o ------------------------------------------------ o
| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
|        via Beirut 2-4, 34014 Trieste (Italy)     |
| email: sclauzer at sissa.it                         |
| phone: +39 040 3787 511                          |
| skype: gurlonotturno                             |
o ------------------------------------------------ o



More information about the users mailing list