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Date: 2017/09/28 22:24
Name: deniz

Dear developers

If I would like to add spin-orbit coupling in optimization calculations for clusters what changes should I do in the input file?
error:Spin-orbit coupling is not supported for collinear dft calculations

Best regards,
Deniz
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Re: clusters ( No.1 )
Date: 2017/09/30 11:59
Name: T. Ozaki

Hi,

The inclusion of the spin-orbit coupling is supported only for the non-collinear
calculation in OpenMX. Thus, please set the following keyword:

scf.SpinPolarization nc


Regards,

TO
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