Dear VASPers,
I am trying to get bands structure of Fe (FCC) with LSORBIT=.TRUE. (SOC)but I there're somethings make me confused.
It's very easy to do it with out SOC from EIGENVAL file. However. w/ SOC in EGEINVAL I got double numbers of band in comparison to w/o SOC (say for non SOC I have 8 bands, with SOC I have 18). When I plot it, it seems to me that I have two set of band put together with some shifts.
Could someone show me how to get the bands structure properly.
Thanks
<span class='smallblacktext'>[ Edited ]</span>
How to interpret EGEINVAL for Spin Orbit Coupling calculation
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hatdau
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How to interpret EGEINVAL for Spin Orbit Coupling calculation
Last edited by hatdau on Thu Apr 16, 2009 5:12 pm, edited 1 time in total.
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support_vasp
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Re: How to interpret EGEINVAL for Spin Orbit Coupling calculation
Hi,
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