[Pw_forum] Efermi in band structure calculations

Paolo Giannozzi giannozz at democritos.it
Thu Nov 29 19:42:12 CET 2012


On Nov 29, 2012, at 1:58 , C wrote:

> Could somebody please help me to understand how the author
> chose the values in these entries.
>
> Efermi > 6.337
> deltaE, reference E (for tics) 1.0, 6.337

these are used only for plotting, and only in the output
postscript file: Efermi is the position of the Fermi energy,
tics along y are traced every deltaE, starting from the given
reference energy. It's obsolescent stuff that doesn't deserve
to be documented.

P.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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