[Wien] Query about SCAN+rVV10
shamik chakrabarti
shamik15041981 at gmail.com
Mon Aug 10 10:18:43 CEST 2020
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
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