PBE0 and forced occupation
Posted: Wed Aug 10, 2011 7:38 pm
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!
Thanks!