[Pw_forum] Davidson diagonalization

[Paolo Giannozzi]

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'.

see
http://www.quantum-espresso.org/wiki/index.php/Troubleshooting_% 
28PWscf%29#pw.x_stops_with_error_in_cdiaghg_or_rdiaghg
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