[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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