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- Sat Apr 26, 2014 10:46 am
- Forum: Many-body perturbation theory
- Topic: GW calculation of band gaps
- Replies: 1
- Views: 3907
GW calculation of band gaps
Hello, I would like to compute the GW band gap for some semiconducting oxides. I started doing some convergence studies on nband, ecutsigx, ecuteps using a single k-point in Gamma for computing the KSS file and, subsequently, epsilon and sigma, as is done in the first lesson on GW in the Abinit tuto...