[Pw_forum] HSE output for yambo TDDFT calculation

[Layla Martin-Samos]

Dear Michael, some time ago, yambo was not able to perform a calculation
from an hybrid or +U. Check if this is possible in the new yambo release.

cheers

Layla

2015-12-09 11:51 GMT+01:00 Paolo Giannozzi <p.giannozzi at gmail.com>:

>
>
> 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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