error in GW calculations fo indirect bang gap?

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new_986
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error in GW calculations fo indirect bang gap?

Post by new_986 » Tue Apr 05, 2011 10:54 am

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.

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