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POTCAR for PW91

Posted: Mon Feb 10, 2014 10:31 pm
by deep.phys08
We currently have VASP 5.3.3 installed and the pseudopotentials are obtained from the POTCAR_LDA and POTCAR_PBE (LEXCH = PE) for the LDA and PBE functionals respectively. Is there a POTCAR pseudopotential available for the PW 91 functional (LEXCH = 91) that can be used alongwith the tags GGA = PW and VOSKOWN = 1 in the INCAR file? If so, I would appreciate it if you please let me know how it could be downloaded.
Thanks.

POTCAR for PW91

Posted: Tue Feb 11, 2014 12:54 pm
by admin
for the new set of PPs, no PW91 POTCARS were generated. If you insist on using PW91 XC, you can only do so by setting the GGA tag in INCAR

POTCAR for PW91

Posted: Wed Feb 12, 2014 3:57 pm
by deep.phys08
Thank you for your prompt reply.