Hi,
I would like to know if LDA+spin-orbit coupling+U is implemented in VASP.
And can I optimize the structure using LDA+U, or LDA+SOC,
or even LDA+SOC+U?
Thanks.
Can I do LDA+SOC+U calculation using vasp?
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xianghjun
Can I do LDA+SOC+U calculation using vasp?
Last edited by xianghjun on Tue Nov 21, 2006 7:25 pm, edited 1 time in total.
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admin
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Can I do LDA+SOC+U calculation using vasp?
yes, please look it up in the manual
Last edited by admin on Wed Nov 22, 2006 10:42 am, edited 1 time in total.
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xianghjun
Can I do LDA+SOC+U calculation using vasp?
Thanks, I will try this method.
Last edited by xianghjun on Sun Nov 26, 2006 3:03 pm, edited 1 time in total.