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order of f orbitals in DOSCAR

Posted: Sat May 09, 2009 12:41 am
by wellsdm
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

Re: order of f orbitals in DOSCAR

Posted: Wed Sep 11, 2024 2:01 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP