[Pw_forum] The scf can't converge

[Lorenzo Paulatto]

On Sun, May 17, 2009 17:18, wangweiphysics at yahoo.com.cn wrote:
>  deduce it to 0.01, also failed.

You cannot jus reduce it, you have to test convergence with respect to the
number of kpoints. I second Axel for the rest, please check your input
file with xcrysden.

regards

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



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