Hello,
I am new to vasp, and am wondering if there is any way to calculate x-ray absorption spectra using this code? I saw some information on calculating CLS, but didn't find anything that would, say, help in calculating a NEXAFS spectrum.
Thanks,
Arun
XAS in vasp?
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pimeson
XAS in vasp?
Last edited by pimeson on Thu Jun 16, 2011 7:14 pm, edited 1 time in total.
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chorawut
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XAS in vasp?
Sure.... you can calculated it indirectly from partial density of state (PDOS).
Last edited by chorawut on Mon Aug 15, 2011 2:31 pm, edited 1 time in total.