band unfolding with spinor

[anhph]

Hi.

Is it possible to unfold the band structure with spinor wavefunction like including spin-orbit coupling in VASP ? I tried this with your code but i got the error "Number of planewaves not consistent"

Thanks,
Anh

[QijingZheng]

Hi Anh - To your question, yes, it can deal with the noncolinear WAVECAR. - In order for the code to better recognize the WAVECAR, please add the "lsorbit" argument unfold(M=M, wavecar='WAVECAR', lsorbit=True) Best

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On Mon, Jul 30, 2018 at 8:52 PM, anhph ***@***.***> wrote: Hi. Is it possible to unfold the band structure with spinor wavefunction like including spin-orbit coupling in VASP ? I tried this with your code but i got the error "Number of planewaves not consistent" Thanks, Anh — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#2>, or mute the thread <https://github.com/notifications/unsubscribe-auth/AIINPinKIl3y7KjAQ9qt5whYJ6n3m_wxks5uLwGPgaJpZM4VmWoO> .