XAS with HSE

Queries about input and output files, running specific calculations, etc.


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huiyao_kuang
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XAS with HSE

#1 Post by huiyao_kuang » Fri Jun 26, 2026 6:45 pm

1. Can VASP compute the XAS core-level spectrum on a spin polarized system?
2. I have a deep core hole with ionization energy closed to 7000 eV. How to print the absorption spectrum in a defined energy range instead of starting from 0 eV?


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