[Wien] Query regarding clean_lapw

shamik chakrabarti shamik15041981 at gmail.com
Thu Jun 9 10:15:54 CEST 2022


Dear Wien2k users & Prof. Tran,

                                    As I am not getting convergence with
HSE06, I want to try reducing the Alpha from 0.25 to 0.05 using your
earlier advice. My query is:
whenever I need to change Alpha, should I need to do clean_lapw every time?

Looking forward to your advice in this regard.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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