Specifying band occupations from input
Asked by
Sharmila Shirodkar
Hello
Is there a way to specify and constrain the occupations of bands in SIESTA?
I was trying to simulate a system where an electron is excited from HOMO to LUMO.
Also, if possible, can this be maintained/
Any help will be appreciated!
Thank you.
Best Regards
Sharmila Shirodkar
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- Siesta Edit question
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