Dear All,
I am running a phonon calculation but after 3-4 matdyn files the calculation
stops. I noticed that the Ph.out contains the message below which perhaps is
responsible:
Band Structure Calculation
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 = 1.92E-11, avg # of iterations = 47.2
total cpu time spent up to now is 2828.2 secs
End of band structure calculation
Number of k-points >= 100: set verbosity='high' to print the bands.
the Fermi energy is 11.3008 ev
I do appreciate any help to resolve this problem.
Warm Regards,
Ericmoore Elijah JOSSOU
PhD Student,
Department of Mechanical Engineering,
University of Saskatchewan
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