Hi All...
Im Using GW approximation in abinit to calculate indirect band gap , you know guys there are four data sets:
1- Ground state calculations.
2-KSS file.
2-Screening file.
4- GW calculations.
but I got this error:
scfcge : ERROR -
Potential-based CG line minimization not converged after 13 restarts.
Action : read the eventual warnings about lack of convergence.
Some might be relevant. Otherwise, raise nband.
I had raised nband but the same error appears again.
what means this? please
Nawzad A.
error in GW calculations fo indirect bang gap?
Moderators: maryam.azizi, bruneval