Error regarding subspace rotation

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subhomoy_gupta
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Error regarding subspace rotation

#1 Post by subhomoy_gupta » Fri Jul 21, 2023 8:28 pm

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.
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alex
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Re: Error regarding subspace rotation

#2 Post by alex » Mon Jul 24, 2023 9:43 am

Hi there,

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

alex
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subhomoy_gupta
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Re: Error regarding subspace rotation

#3 Post by subhomoy_gupta » Thu Jul 27, 2023 2:37 pm

Can you check the files once again? The error was related to subspace rotation error....
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alex
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Re: Error regarding subspace rotation

#4 Post by alex » Fri Jul 28, 2023 6:34 am

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
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