[Wien] Lithium 1s energy

[Michael Gurnett]

I am trying to figure out why "analysis" is giving an energy of 0 for the Li 1S. The energy cut-off has been set to -6 ryd (the system consists of 34 Ge and 1 Li atom). The binding energy of the 1S should be att approximately 55 eV relative to the top of the valence band maximum. Any suggestions?


regards

Michael
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