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Could this code to deal with the Spin orbital coupling (SOC) system ? #12

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Dongyangw opened this issue Aug 9, 2017 · 1 comment

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@Dongyangw
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I need to do effective mass calculation from band structure within SOC effect considered by VASP. Could you please tell me how to set band number in inp file for SOC system ?

@jaroli
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jaroli commented Aug 9, 2017

SOC calculations are possible and they don't really change the emc.py workflow. Just select the same band number you would for a regular calculation without SOC.

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