Yes
بتاريخ 03/11/2018 17:14، كتب "Fecher, Gerhard" :
> Have a look at the program boltztrap
>
> Ciao
> Gerhard
>
> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
> "I think the problem, to be quite honest with you,
> is that you have never actually known what the question is."
>
>
FYI, it is recommended to use the new version 2 of BoltzTraP (called
BoltzTraP2):
https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/
Have a look at the program boltztrap
Ciao
Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."
Dr. Gerhard H. Fecher
Institut of
Hi
how calculated the properties thermoelectric by wien2k?
بتاريخ 30/10/2018 10:04، كتب "Peter Blaha" :
The symmetry operations listed in case.outputkgen have no meaning. They are
a leftover from an ancient version.
Use the ones in case.struct (or case.outputs or case.outputsgroup)
On
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