[Pw_forum] Is the CG diagonalization suitable for the general matrix?

xqhu@duke.edu Xiangqian.Hu at duke.edu
Tue Mar 20 16:39:20 CET 2007

Dear users,

I'm trying to implement PZ-SIC in PWSCF. In PZ-SIC, the Fock matrix is not symmetric any more. I can not use DIIS or Davidson since both of them are for the hermitian matrix. I checked CG codes. It seems that CG can be used in the gereral matrix. If you are familiar with the CG diagonalization, please tell me some details.

Thank you very much.

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