[Pw_forum] Davidson diagonalization
chenhanghuipwscf at gmail.com
Sun Feb 10 16:51:18 CET 2008
Dear PWSCF users,
I have encountered a problem recently. When I ran a self-consistent
calculation of a large system, the Davidson diagonaliztion 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'. It seems that the Davidson
diagonalization does not work well here.
What can I do to avoid that error? Is there anything wrong with the
Thank you very much.
Department of Physics
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