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- Wed Mar 02, 2016 4:39 pm
- Forum: The CASINO program
- Topic: trial wavefunctions for twistaveraging
- Replies: 6
- Views: 18034
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...