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.
Error regarding subspace rotation
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subhomoy_gupta
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Error regarding subspace rotation
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alex
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Re: Error regarding subspace rotation
Hi there,
your system shows no convergence.
Check that wiki/index.php/Difficult_to_converge_systems,
please.
alex
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
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
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
Best regards,
alex