[Wien] Query about clean_lapw

shamik chakrabarti shamik15041981 at gmail.com
Fri Jun 2 14:21:43 CEST 2023


Dear Wien2k users,

                          Initially I have forgotten to add -hf in a
calculation initialized for running -hf for one cycle. However, I have
stopped the calculation after one cycle which contains initialization of
-hf which produces lapw0 -grr during one iteration. After that I have run
clean_lapw & then start with the attached -hf flag. My query is whether
clean_lapw ensures that I do not have any error for continuing with -hf or
I may need to start a fresh calculation in a fresh directory?

Looking forward to hearing from you.

with regards,

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