GW aproximation

GW, Bethe-Salpeter …

Moderators: maryam.azizi, bruneval

Locked
shwetha
Posts: 1
Joined: Thu Dec 01, 2016 6:18 pm

GW aproximation

Post by shwetha » Thu Dec 01, 2016 6:25 pm

Hi everyone,

I am calculating the band structure for zno (zincblende) using gw approximation and not understanding how to define number of bands. In log file i am getting not enough bands to get charge balance and check psudopotential file.

Thank you

Shwetha
TU DArmstadt

Locked