Dear exciting developers,
I have some questions please:
1. Is it implemented in exciting-code to calculate excitonic states in zero band gap semiconductors or metals? If yes, can you present me a input.xml of the BSE calculations for a simple case like Na or other metallic crystals? I want to see what is the difference between this input file with that of a simple semiconductor like Si.
When setting the input.xml for calculating the excitonic effects by BSE for a zero band gap semiconductor like graphene, it is printed in the INFOXS.OUT that : there is no kohn-sham gap, that is acceptable. But the resulting spectra are not logical; for example the spectrum begins at some tens eV beyond the onset.
2. How we can include intra-band transitions in a BSE calculation for a metal (or a zero band gap semiconductor) in the exciting-code?
All the best for you,
Thanks in advance
Hajar
