[Pw_forum] hybrid band structure calculation
paolo.giannozzi at uniud.it
Wed Jun 19 22:47:28 CEST 2013
On Mon, 2013-06-17 at 16:16 +0100, Davide Tiana wrote:
> thanks for answering. So, if I correctly understood
> I can't run a hybrid band structure from Gamma to X?
I don't think you can, unless you happen to have a uniform
grid along Gamma-X
> is there a particular reason for this limitation or is just cause
> hybrid functional has just been implemented inside of QE?
the latter you say, I think
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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