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by Luke_Shulenberger
Wed Mar 02, 2016 4:39 pm
Forum: The CASINO program
Topic: trial wavefunctions for twistaveraging
Replies: 6
Views: 13295

Re: trial wavefunctions for twistaveraging

I will be interested to see how the results of the calculations go. Although I have not completed formal testing on this point, my thinking is actually a bit different than what is suggested. I'm not certain whether using trial wavefunctions from a converged DFT density will produce the lowest QMC e...