alpha+bet AND GW
Posted: Tue Jan 31, 2012 10:37 am
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