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
