No, alpha needs to be determined (similar to +U) On Fri, Dec 1, 2017 at 3:07 PM, Wahid Kamal <[email protected]> wrote:
> Dear wien2k users; > > how to choose the fraction of exact exchange for a full hybrid calculation? > can it take an alpha = 1 value for more precision? > -- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent Co-Editor, Acta Cryst A
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