[Wien] IFFT parameter in case.in0 for nlvdw calculation
shamik chakrabarti
shamik15041981 at gmail.com
Sat Feb 8 12:40:06 CET 2020
Dear Wien2k users,
Is it necessary to reduce the IFFT parameter in
case.in0 from 60 60 90 to -1 -1 -1 during nlvdw calculation???...I am a bit
confused!
Looking forward to your reply eagerly.
with regards
--
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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