[Pw_forum] performance of occupation='fixed' and ='smearing'

[Lorenzo Paulatto]

In data 10 settembre 2009 alle ore 05:03:47, shypirate  
<shypirate at gmail.com> ha scritto:
> When I use pw.x, I find that performance of different occupations are  
> different. If I set occupation='smearing', it takes about 6 minutes for  
> one diagonalization step, but 24 minutes for occupation='fixed'. I have  
> set the same "nbnd" and "K_POINTS" for both.

Dear Y.P.Wang,
could you please specify better what you mean by "diagonalization step"?

best regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***
  http://saveitalianbrains.wordpress.com/