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Questions about the tag ISYM in calculation including SOC

Posted: Sun Apr 03, 2011 3:24 am
by junwei
Why do we must set ISYM=0 in VASP when we take spin orbital coupling into account?
In my mind, SOC don't break the inversion symmetry and therefore why can't we employ the other symmetry(douple group) to reduce the calculation?
Is it because the SYMMETRY defined in VASP only determinded by POSCAR?
If we set ISYM=2 and LSORBIT=.T., what is the effect on the results?

Any suggestion and comment are welcome. Thanks a lot.
<span class='smallblacktext'>[ Edited ]</span>

Re: Questions about the tag ISYM in calculation including SOC

Posted: Wed Sep 11, 2024 2:38 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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