[Pw_forum] band energies
helen at fh.huji.ac.il
Mon Mar 31 11:24:13 CEST 2008
So far I've been calculating bandgaps and so have been using the differences in band-energies, now I want to compare the absolute value of the HOMO in semiconductors with experimental workfunctions. How can I know what the absolute zero value of the bandenergies is? Is there any meaning to the absolute values given in the output file or are only the band energy differences relevant?
Thanks for your help,
Dr. Helen Eisenberg,
Fritz Haber Center, Hebrew University.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users