[Pw_forum] diis?

[Lorenzo Paulatto]

Agostino Migliore ha scritto:
>  You can retrieve this information from a
> file in the .save directory or directly from your .out file if you used a
> high level of verbosity.
>   
With the normal level of verbosity you can simply check the smearing
contribution in the output file: if it is zero or little more you only
have integer occupations, otherwise you have some fractionary occupations.


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