[Pw_forum] absorption spectrum calculation
bamideleibrahim at yahoo.com
Fri Jun 10 22:10:37 CEST 2011
I am interested in absorption spectrum calculation of semiconductor materials am working on. I read from the example that came with the espresso package that after scf calculation, one need to run upf2plotcore.sh to be able to extract the core electron from the pseudopotential of the system of interest. But i keep getting empty value in .wfc file. Please can anyone give me an idea.
Adetunji Bamidele Ibrahim
Department of physics,
University of Agriculture,
Abeokuta, Ogun State,
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