Dear all, While using the different van der Waals functionals often people use a different description of the exchange & correlation in the pseudopotential files and override those with the appropriate value of input_dft in the pw input file. For example I generate a pseudopotential with DFT="PBE" and use that to do a calculation where in the input file I use input_dft="rVV10".
I was wondering whether this is the correct way to do it? In principle one should generate the pseudopotential also with DFT="rVV10". With regards, Prasenjit PRASENJIT GHOSH, IISER Pune, Dr. Homi Bhabha Road, Pashan Pune, Maharashtra 411008, India Phone: +91 (20) 2590 8203 Fax: +91 (20) 2589 9790
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