check your structure. stefano On 05/16/2011 11:17 AM, swapnil chandratre wrote: > Hi, > > I am trying to relax graphene ribbon, the set up runs for long time and I > notice > > Self-consistent Calculation > > iteration # 1 ecut= 60.00 Ry beta=0.30 > Davidson diagonalization with overlap > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > ethr = 1.00E-06, avg # of iterations = 18.8 > > I think there is error somewhere due to which takes time for it to converge, > could anyone suggest what parameters would affect this. > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
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