This is a tutorial in how to calculate the X-ray using the DFT-code RSPt.
The theory is explained in the powerpoint file and in the papers https://journals.aps.org/prb/abstract/10.1103/PhysRevB.109.115126 and https://journals.aps.org/prb/abstract/10.1103/PhysRevB.96.245131.
On the first day start by converging a DFT calculation with prnt flag 11 als lined out in Day1-breaking_the_symmetry after that you continue by calculating the Slaterparameters.
On the second day start by calculating the hybridiyation function and fitting it. After this is completed you will calculate the spectra and take a look at the output files that are generated to see if everything in your calculation went according to plan.
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This is a Tutorial on how to calculate X-ray spectra using RSPt and the impurityModel code
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