Dear All
I have one question concerning the calculation of the spin orbit splitting with VAsP. I am interested to study the SO in the cinnabar, if the splitting is positive then the upper of the two components has +/- 3/2, so the X+iY should be the upper level
(spin up) and if the spin orbit splitting is negative the X-iY (spin down) will be the upper level at Gamma. I wolud like to know if it is possible to have the pahse factors at gamma for the different wave functions. In fact using LORBIT = 11 one obtain the DOSCAR and PROCAR file with phase factors, but in the manual doesn't appear the info concerning the meaning of these phase factor, or the meaning of the lm decomposed procar file. Any body can help and explain it?
Thanks
Alfonso
Spin orbit splitting question
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amunoz
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Spin orbit splitting question
Last edited by amunoz on Tue May 11, 2010 12:04 pm, edited 1 time in total.
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support_vasp
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Re: Spin orbit splitting question
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.
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