[QE-users] vc-relax with PBE0 and QE6.7

Bidault, Xavier xavbdlt at uic.edu
Wed Jan 20 12:49:02 CET 2021


Hello,

I would like to run a geometry optimization (vc-relax) using PBE0 and QE6.7. I got the following error message:
Error in routine setup (1):
     forces for hybrid functionals + US/PAW not implemented


I guess this means I have to rely on another software, don't I? Or is there a way to discard the need of PP with PBE0 and QE6.7?

Thank you,
Xavier
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