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I'm trying to calculate coulomb integrals using vaspbandunfolding and compare it to VASP generated FCIDUMP file, when i use my own output files instead of the provided examples, it gives the following error. I don't know if it's a matter of VASP version because i tried different output files. Thanks in advance.
The text was updated successfully, but these errors were encountered:
I'm not sure how to tweak it since I have no idea on how to reproduce it.
If you want a quick response, please provide an MWE (minimal working example) to reproduce this issue, or I have to guess what is your input and your environment.
I'm trying to calculate coulomb integrals using vaspbandunfolding and compare it to VASP generated FCIDUMP file, when i use my own output files instead of the provided examples, it gives the following error. I don't know if it's a matter of VASP version because i tried different output files. Thanks in advance.
The text was updated successfully, but these errors were encountered: