[Pw_forum] Davidson diagonalization with overlap
tfcao at theory.issp.ac.cn
Tue Nov 15 15:24:24 CET 2011
Dear Giuseppe Mattioli
Thank you very much for your kind replay . When I relax the structure, the calculation process stops here iteration # 4 ecut= 30.00 Ry beta=0.70
Davidson diagonalization with overlap. And I google it and have found this http://www.democritos.it/pipermail/pw_forum/2003-June/000374.html.
I can not fully understand it, so it appears to me that there in a problem in my calculation.
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