[Pw_forum] Which PPs should be used for vdW-df calculation?
kiterunner7 at gmail.com
Mon Oct 23 17:37:11 CEST 2017
Dear QE users,
I have studied that now VDW-DF (non-local) is implemented in QE. To use
this, you just need to change the input_dft accordingly. I also read that
you need revPBE for vdW-df calculations. I was not able to find the revPBE
PPs. My question is, can we use PBE PPs if we are interested in VDW-DF? I
hope not as the VDW-DF is a non-local. Where can we find the revPBE pps?
Thanks in Advance
Department of Physics, UFJF, Brazil
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