Large system

Queries about input and output files, running specific calculations, etc.


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kazeej
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Large system

#1 Post by kazeej » 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

alexey.tal
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Re: Large system

#2 Post by alexey.tal » Mon Apr 10, 2023 8:49 am

Dear kazeej,

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

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