Dear users: Now I’m working xas spectrum calculation with non-polarized light by quantum espresso. But I’m confused about how to sum polarized xas spectrum to reproduce non-polarized xas spectrum. In vasp home page(https://www.vasp.at/wiki/index.php/XANES_in_Diamond.), extraction of xas spectrum is treated by plot_core_imdiel.sh. but summation ways are 8. For example, in mode=0, sum=*xx+*yy+*zz+*xy+*yz+*zx in mode=4, sum=E(eV)*( *xx+*yy+*zz+*xy+*yz+*zx)**0.5 and so on.
Which is the most general way in summation for xas spectrum? Or is there any other way to reproduce non-polarized xas spectrum? Best Regards, Takahisa Ishiyama
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