[QE-users] bands Edge position with respect to vacuum

mohamed maymoun maymoun17755 at gmail.com
Fri Dec 3 23:58:08 CET 2021


Dear users,
I calculate the vacuum energy with the average electrostatic potential
using pwscf, pp.x and average.x.
I wanted to calculate the band edge position with respect to vacuum
Any suggestions on what I do ?

*Best regards,*

*mohammad maymoun*
********************************

*PhD Student*
*Laboratoire des sciences des Matériaux, des Milieux et de la Modélisation
(LS3M)*

*Faculté Polydisciplinaire de Khouribga*

*Université Sultan Moulay Slimane*
*Béni Mellal , Maroc*
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