[Pw_forum] Calculation of DOS at the Fermi energy

[Paolo Giannozzi]

On Apr 9, 2011, at 17:05 , r s wrote:

> from local_dos : error #     1
> gaussian broadening needed
> [...]
> why the gaussian broadening?!

"gaussian broadening" here indicates any kind of smearing

> I use smearing= 'mp' in my calculations

you think you used smearing='mp'. The code finds you didn't
use any smearing and stops.

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