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?

Best regards,

Dominik Gresch

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