[QE-users] ibrave=-12
Paolo Giannozzi
paolo.giannozzi at uniud.it
Sat Mar 16 21:07:35 CET 2024
On 16/03/2024 11:49, Fariba Nazari via users wrote:
> Dear all,
>
> Does crystal_b work for ibrave=-12?
for "ibrave"=-12, no. For "ibrav"=-12, it should work
Paolo
> Best Regards
> Fariba Nazari
> IASBS
>
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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