Inscrit le: 04 Déc 2017
|Posté le: Mer 25 Avr - 14:40 (2018) Sujet du message: strange behavior due to the GW correction
After a GW correction, the comparison betwen the obtained band structure and the DFT one (attached file) shows a shift of the valence bands
to higher energies (strange behavior).Can you help to understand the origin of this unusual behavior. I this due to a possible error in the gw calculation or it is a sign of the rise of a new physics??
I didn't find the right solution from the Internet.
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