I get confused...I think I should replace XC_PBE by XC_SCAN after the first run with case.inm_vresp & not during the first run with case.inm_vresp
On Mon, Aug 10, 2020, 14:06 Tran, Fabien <fabien.t...@tuwien.ac.at> wrote: > Yes but with "replace XC_PBE for XC_SCAN". > > > ------------------------------ > *From:* Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of > shamik chakrabarti <shamik15041...@gmail.com> > *Sent:* Monday, August 10, 2020 10:18 AM > *To:* A Mailing list for WIEN2k users > *Subject:* [Wien] Query about SCAN+rVV10 > > Dear Wien2k users, > > I have followed the sequence as below; > > (1) runsp_lapw with case.inm_vresp file in order to generate the required > case.vresp* files > (2) create case.innlvdw for SCAN+rVV10 and edit case.in0 to replace > XC_SCAN for XC_PBE > (3) runsp_lapw -nlvdw > > is this sequence is correct? > Any response in this regard will be helpful for us. > > with regards, > > -- > Dr. Shamik Chakrabarti > Research Fellow > Department of Physics > Indian Institute of Technology Patna > Bihta-801103 > Patna > Bihar, India > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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