[Pw_forum] HSE output for yambo TDDFT calculation

Paolo Giannozzi p.giannozzi at gmail.com
Wed Dec 9 11:51:12 CET 2015


On Wed, Dec 9, 2015 at 10:34 AM, Michael Friedrich <michael.friedrich at upb.de
> wrote:

>
> Maybe there is someone who knows more about this?
>

I know close to nothing about this, but I am quite sure that the format of
the data file is the same irrespective of the type of calculation. Try to
start Yambo from the same scf calculation, made with plain DFT, and see
what happens

Paolo

Is there a possibility to provide the same output to yambo from a hse run
> as from a scf—>nscf DFT run? As far as I know there shouldn’t be much of a
> difference in the format of the WF and in principle it should be possible?!
>
> Thank you
> Michael Friedrich
> Universität Paderborn
> Germany
>
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>



-- 
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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