[Pw_forum] c_bands: 4 eigenvalues not converged

[Paolo Giannozzi]

On Jul 18, 2010, at 8:38 , Masoud Nahali wrote:

> I get the below lines in the first iterations but after the  
> iteration  #  4 or 5 disappears and again in the next steps the  
> story repeats.
>
>  Davidson diagonalization with overlap
> c_bands:  1 eigenvalues not converged
> c_bands:  4 eigenvalues not converged
>
> As proposed in the manual and forum I tried to ran the Job without  
> considering symmetry

where did you read that?

\paragraph{{\em Warning : N eigenvectors not converged}}
This is a warning message that can be safely ignored if it is not
present in the last steps of self-consistency. If it is still present
in the last steps of self-consistency, and if the number of
unconverged eigenvector is a significant part of the total, it may
signal serious trouble in self-consistency (see next point) or
something badly wrong in input data.

> I do not know that I must be worry of encountering such lines or not?

as explained above, you shouldn't.

> Also, May you please say me the "c_band" is related to my Carbon  
> atoms or not?

no: "c_bands" is the routine that issues the message

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222