[Pw_forum] fermi energy

david davidfoster751 at yahoo.com
Mon Dec 16 18:17:38 CET 2013

Hi everybody,

I need help.

I have calculated fermi energy of Fe in espresso and castep (MS 6.0). The espresso's fermi energy 

is near to 14 as one of its example (I used 5.0.2 version). but for castep it is near to zero.

I should add that for Fe I used supercell, but for castep I used unit cell.


D. Foster

Ph.D. Student of Chemistry

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