[QE-users] questions related to QE-GIPAW

Sergei Butorin sergei.butorin at physics.uu.se
Thu May 20 21:13:03 CEST 2021


I wonder if someone can answer a couple of questions related to QE-GIPAW:

-          Have any of methods discussed at QE-developer workshops to take into account SOC been ever implemented in QE-GIPAW?

-          Is it always better to use ibrav=0 and nosym=.true. rather than to try to specify symmetry in terms of ibrav?

Best regards,
Dr. Sergei Butorin
Uppsala University
Sweden








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