[Wien] Query about clean_lapw

[Peter Blaha]

Try it out.

Am 02.06.2023 um 14:21 schrieb shamik chakrabarti:
> 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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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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