[Wien] Query about clean_lapw

[fabien.tran at vasp.at]

Executing clean_lapw is still preferable to avoid a case.scf file that 
contains the info about this 1st wrong iteration.

On 02.06.2023 18:18, Peter Blaha wrote:
> 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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