dear all,
I am checking GW calculations on some small model of Silicon surface ( 5 layers, clean, monohydroterminated, dihydroterminated). I wonder why if I do GW calculation for the clean one I obtain the same gap on Gamma between DFT and GW (~0.54 eV at PBE/PAW).
How is it possible? Does it mean that in this case DFT is not lacking in describing the bandgap problem?
Any comment is very appreciated!
Best,
G
band gap opening on Gamma
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giacomo giorgi
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band gap opening on Gamma
Last edited by giacomo giorgi on Sat Oct 16, 2010 6:56 am, edited 1 time in total.
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support_vasp
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Re: band gap opening on Gamma
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