alpha+bet AND GW
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alpha+bet AND GW
Dear all,
I would like to compare the VBM for two different polymorphs of ZnO, but at GW level. I know that using "alpha+bet" value at DFT level gives a rough estimation of the level of VBM with respect to the vacuum (ok, not exactly correct, just rough approximation since no vacuum for bulk).
I wonder if there is something like "alpha+bet" calculated from GW output
Thanks in advance,
Giacomo
I would like to compare the VBM for two different polymorphs of ZnO, but at GW level. I know that using "alpha+bet" value at DFT level gives a rough estimation of the level of VBM with respect to the vacuum (ok, not exactly correct, just rough approximation since no vacuum for bulk).
I wonder if there is something like "alpha+bet" calculated from GW output
Thanks in advance,
Giacomo
Last edited by giacomo giorgi on Tue Jan 31, 2012 10:37 am, edited 1 time in total.
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Re: alpha+bet AND GW
Hi,
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