Hi Ericmoore, The message "1 eigenvalues not converged" is typical and this message often occurs during electronic bandstructure calculcation (which is the first step of a phonon calculation). I don't think that is the reason why your calculation may be stopping (someone correct me if I'm wrong). Could you post more details on what exactly it prints just before the code stops?
Sridhar Purdue University On Fri, May 20, 2016 at 10:23 AM, Jossou, Ericmoore < [email protected]> wrote: > 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* > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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