[Wien] [SPAM?] 1s state of O in In2O3

[Afridi, Al Mojahid (S&T-Student)]

Dear Wien2k user community,


For a different project, I need to calculate the 1s state of oxygen in In₂O₃. However, it seems that the case.qtl file is omitting the 1s state because it is a core state. Could someone please guide me on how to perform the calculation for the 1s state of oxygen in this context? I would really appreciate your help.

Best wishes

Afridi


----------------------
Al Mojahid Afridi
Graduate Research Assistant
Physics Department<https://physics.mst.edu/> | Missouri University of Science and Technology<https://www.mst.edu/>
220 Physics Bldg. | 1315 N. Pine St. | Rolla, MO, 65409
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