Can we just request only PBE calculation instead of PBE0?
Clicked A Few Times
10:32:59 AM PDT - Mon, Apr 28th 2014
PBE0 has a mixture of HF and PBE, but I only need PBE. So is there way to enforce only PBE calculation? Thanks,

Forum Vet
10:54:56 AM PDT - Mon, Apr 28th 2014
You would need to use the following line to define the functional

xc xpbe96 cpbe96


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