Large system
Posted: Tue Apr 04, 2023 9:25 pm
Hi everyone,
I am trying to relax a system of >800 atoms and but my job always terminates without completion? On checking the OUTCAR, I saw this error " ERROR FEXCP: supplied Exchange-correletion table is too small, maximal index : 5664". Is there any reason for this?
Best,
Jelili
I am trying to relax a system of >800 atoms and but my job always terminates without completion? On checking the OUTCAR, I saw this error " ERROR FEXCP: supplied Exchange-correletion table is too small, maximal index : 5664". Is there any reason for this?
Best,
Jelili