[Pw_forum] Res: tetrahedron method

[Lorenzo Paulatto]

On Sun, September 13, 2009 14:13, Álvaro Alves wrote:
>  I asked the question because in the PROJWFC documentation is written as
>  follows: The tetrahedron method is presently not implemented.

Dear Alvaro,
I think you can specify the kind of smearing you want to use with the
parameter ngauss, independently from what you've used for the scf
calculation.

Incidentally, I hope you have not uses the tetrahedra method for structure
optimization: it is explicitly deprecated in the input manual.

best regards


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



----------------------------------------------------------------
  SISSA Webmail https://webmail.sissa.it/
  Powered by SquirrelMail http://www.squirrelmail.org/