[Pw_forum] Davidson diagonalization

Paolo Giannozzi giannozz at nest.sns.it
Sun Feb 10 17:44:25 CET 2008

On Feb 10, 2008, at 16:51 , alan chen wrote:

> When I ran a self-consistent calculation of a large system, the  
> Davidson diagonalization works well. However when I ran a non-self- 
> consistent calculation of the same system with the same k-point  
> density and 'temperature', the code collapses because 'from  
> cdiaghg : error # 28286 info=/= 0'.

and the many messages on this mailing list regarding similar errors
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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