I'm running a forced occupation calculation in PBE0 and I'm wondering if there is a way to parallelize this calculation. In order for the FERWE and FERDO keywords, I need to set NPAR=1, but in order to get PBE0 to run I need the number of processors = NPAR, so I'm unable to run my calculation on more than one processor. Any thoughts?
Thanks!
PBE0 and forced occupation
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emily.t
PBE0 and forced occupation
Last edited by emily.t on Wed Aug 10, 2011 7:38 pm, edited 1 time in total.
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support_vasp
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Re: PBE0 and forced occupation
Hi,
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