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Large system

Posted: Tue Apr 04, 2023 9:25 pm
by kazeej
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

Re: Large system

Posted: Mon Apr 10, 2023 8:49 am
by alexey.tal
Dear kazeej,

Could you please provide all the relevant input and output files for your calculation according to the forum guidelines.