[QE-users] HSE calculations (Mona Asadinamin)
Marcelo Albuquerque
marcelofilho at id.uff.br
Tue Sep 1 02:53:20 CEST 2020
Dear Mona,
Firstly, I think your problem has to do with the calculation variable. You
could try setting it as 'scf'.
I'm not sure, actually, but I think it is not possible to perform a
variable cell calculation using hybrid correction.
Best wishes.
* Marcelo Albuquerque*
* Ph.D. Student*
*Instituto de Física (Physics Institute IF-UFF)*
* Universidade Federal Fluminense (UFF)*
* Niterói/RJ - Brazil*
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