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Hi,

I encounter warning: " PSMAXN for non-local potential too small". I saw from previous discussions that ENCUT is too large compared to ENCUT and has to be decreased or harder potentials need to be used, and the order of atoms in POTCAR file should be ordered descending in ENMAX and LREAL should be set to False.

I tried all of the above suggestions (sv_GW potentials in POTCAR), but I still get the error for ENCUT = 1000, I use R2SCAN functional with VdW correction, the k-grid is 24 4 6 Gamma-point. My system is compose of Ta Ni Se and the hardest potentials I can find are sv_GWs. Do you have any suggestion how to mitigate this warning?

You can find the INCAR and POTCAR files in the attachment.

Regards,
Burak

Hi Burak,

Thansk for reaching out. I will try to help you resolve the issue.

First I would like to reproduce the error on my end, so I would ask you to upload all the input and output files according to the forum posting guidelines.

Kind regards

Hi Manuel,

thanks, please find the files in the attachment

Regards,