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
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deep.phys08
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POTCAR for PW91
Last edited by deep.phys08 on Mon Feb 10, 2014 10:31 pm, edited 1 time in total.
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admin
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POTCAR for PW91
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
Last edited by admin on Tue Feb 11, 2014 12:54 pm, edited 1 time in total.
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deep.phys08
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POTCAR for PW91
Thank you for your prompt reply.
Last edited by deep.phys08 on Wed Feb 12, 2014 3:57 pm, edited 1 time in total.