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Error regarding subspace rotation

Posted: Fri Jul 21, 2023 8:28 pm
by subhomoy_gupta
Hi,
I am getting this particular error on and on while conducting a surface-adsorbate calculation with N2....... Can you please tell me where I am going wrong and what I need to change in order to resolve this error?
I am attaching the INCAR, POSCAR, POTCAR, and the error OUTCAR files.

Re: Error regarding subspace rotation

Posted: Mon Jul 24, 2023 9:43 am
by alex
Hi there,

your system shows no convergence.
Check that wiki/index.php/Difficult_to_converge_systems,
please.

alex

Re: Error regarding subspace rotation

Posted: Thu Jul 27, 2023 2:37 pm
by subhomoy_gupta
Can you check the files once again? The error was related to subspace rotation error....

Re: Error regarding subspace rotation

Posted: Fri Jul 28, 2023 6:34 am
by alex
Well, that lienar algebra routines go most likely crazy, because your physics does. If you achieve a better convergence following the suggestions on the website, the error will disappear also.

Best regards,

alex