Dear sir,
It is indicated that VASP5 support hybrid functional. However we cannot find the distribution of psdopotential with hybrid functional as well as revised-PBE functional on the ftp server. Furthermore, should changes be made in the INCAR file if we want to use the hybrid functional?
psdopotential for hybrid functional and revised PBE
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KurtG
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psdopotential for hybrid functional and revised PBE
Last edited by KurtG on Tue Apr 27, 2010 9:12 am, edited 1 time in total.
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Danny
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psdopotential for hybrid functional and revised PBE
AFAIK you need to use the PBE potentials + set some parameters in INCAR
Last edited by Danny on Tue Apr 27, 2010 1:48 pm, edited 1 time in total.
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KurtG
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psdopotential for hybrid functional and revised PBE
thank you Danny.
Last edited by KurtG on Wed Apr 28, 2010 1:48 am, edited 1 time in total.