[Wien] TPSS or others?
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hao at qs.t.u-tokyo.ac.jp
Fri Oct 7 08:37:34 CEST 2005
Hi everyone :
Recently I focus on the semiconductor, I know LDA and GGA(91,96) is not
good
Enough for bandstruct of semiconductor, I tried and was nearly 50% lower for
bandgap. Have
Someone tried the TPSS, was that ok for semiconductor, and how was the
result comparing
With GW in pseudopotential? Would you please give me some advices or
information or tips
On using TPSS?
Thank you very much
hao
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