[Pw_forum] Fermi energy

[Lorenzo Paulatto]

On Thu, May 28, 2009 21:31, ËïÑô wrote:
>  Anybody has idea about this?

The Fermi energy can be a bit different between a scf and a corresponding
nscf calculation. If they are very different there is probably an error in
your input file (different atomic coordinates, wrong number of
electrons...) Weithout seeing you input its difficult to tell, though. Try
and compare the inputs and the outputs of your calculations using the
program "diff".

regards


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



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