[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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