Problem to run Z2-pack
greschd at gmx.ch
Sun Nov 8 15:40:29 CET 2020
Dear Surasree Sadhukhan,
From the error you posted, it seems that the 'CHGCAR' file is missing
in the 'input' directory. This should be created in a separate VASP SCF
calculation (independent of Z2Pack). Maybe the SCF step was not
executed, or there was an error during its execution?
On 04.11.20 05:54, Surasree Sadhukhan wrote:
> Dear Sir,
> I am Surasree Sadhukhan, a research scholar of IIT Goa, India. I am a
> new user of Z2-pack. But I am getting some errors when I am trying to
> run run.py.
> Here I am attaching the screenshot of the errors and run.py.
> Please let me know how to remove the above errors.
> looking for your kind reply.
> Thanks & Regards
> Surasree Sadhukhan
> Research Scholar
> School Of Physical Sciences
> IIT GOA
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