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

On Mon, Jul 30, 2018 at 8:52 PM, anhph notifications@github.com 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

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