I was wondering if anyone knows the order VASP outputs the f-orbitals in the DOSCAR. I am doing a spin-orbit coupling run and I would like to know which columns correspond to which orbitals. i understand you have a total then each direction component for each of the 7 orbitals (for SOC), but what is the order?
wellsdm
order of f orbitals in DOSCAR
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wellsdm
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order of f orbitals in DOSCAR
Last edited by wellsdm on Sat May 09, 2009 12:41 am, edited 1 time in total.
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support_vasp
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Re: order of f orbitals in DOSCAR
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