[QE-users] Xanes M1 spectra

Malte Sachs malte.sachs at chemie.uni-marburg.de
Mon Jul 16 16:13:57 CEST 2018


Dear all,

in the Xspectra documentation it is noted that it is possible to 
calculate K- and L1-edge Xanes spectra. I am interested in calculating 
M1-edge spectra. Is this possible with code by using pseudopotentials 
with the core hole in the 3s orbital instead of in the 1s or 2s orbital?

Best regards,

Malte


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