VASP Forum

Dear Experts,
I am relaxing a bulk hetrostructure, and I am getting the following error during relaxation:
Error EDDDAV: Call to ZHEGV failed. Returncode = 7 1 8,
could you please check my input files and please help me how to remove this error. I am expecting I am doing correct everything from my end.
https://drive.google.com/file/d/1YPLcmM ... drive_link

Hallo,

You can try to follow the strategies suggested here: Troubleshooting electronic convergence.
If this does not help, I would suggest to upgrade to the latest version and see if the error persists. There have been many improvements since VASP 5.4.4. If you still have troubles, please don't hesitate to reach out!