[Pw_forum] c_bands: eigenvalues not converged (GIPAW)

Jarkko Vähäkangas Jarkko.Vahakangas at oulu.fi
Mon Jan 28 09:25:32 CET 2013


I am calculating g_tensor with GIPAW 5.0.2 (svn/9742) and get following in the beginning of the calculation:

Computing the magnetic susceptibility     isolve=0    ethr=0.1000E-13
     k-point #    1 of    40      pool #  1
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
    End of magnetic susceptibility calculation

But I am still getting results of different contributions. I am wondering that are those results reliable? In the scf calculation I do get such messages also that c_bands eigen values not converged but not in the end.

Thanks & regards, Jarkko

Jarkko Vähäkangas (Ph.D. cand.)
Department of Physics, NMR-group, University of Oulu,
P.O.Box 3000,

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