[Sax-project-users] HF

kazempoor at ph.iut.ac.ir kazempoor at ph.iut.ac.ir
Wed Jan 6 12:00:19 CET 2010


Hi ALL
I did a  gw test for TiO2 by sax and I got the bang gap about 2.9 eV. I changed the gw to HF , but the gap went to 10 eV. Which parameters should be optimized for doing fine HF calculation?
thanks a lot

Ali Kazempour
Physics Department, Isfahn University of Technology


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