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.
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Questions about the tag ISYM in calculation including SOC
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junwei
Questions about the tag ISYM in calculation including SOC
Last edited by junwei on Sun Apr 03, 2011 3:24 am, edited 1 time in total.
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support_vasp
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Re: Questions about the tag ISYM in calculation including SOC
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