spin orbit matrix

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spin orbit matrix

Postby wxiaom86 » Thu Aug 02, 2018 10:38 pm

Hi all,

Can I get the spin orbit matrix < phi_i | H_SOC | phi_j > from VASP? If yes, then how?

Best,
wxiaom86
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Re: spin orbit matrix

Postby wxiaom86 » Thu Aug 09, 2018 3:18 am

Hello,

The off-diagonal matrix elements should be zero once |phi> is the eigenstate of H_SOC. Please can anyone confirm on this?

Best,

Xiaoming Wang
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