The following notes were collected as a learning exercise for me. The notes consists of bare bone basics and scripts for running calculations in FHI-aims, mostly calculations relevant to core-hole spectra. The following incorporates the steps required to obtain input files and results from 2021 FHI-aims tutorials. The lecture videos and slides used during the tutorials are given here: https://indico.fhi-berlin.mpg.de/event/112/.
The following sections are linked here:
Ongoing:
Coming soon:
2a. XPS ($\Delta$-SCF calculation) - Usage of constraint keywords and MOM algorithm, difference between the available keywords
XPS (GW calculation)
XPS (Slater Transition method)
2b. XPS in bulk
2c. XPS in surfaces