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

[Paolo Giannozzi]

On Mar 20, 2007, at 16:39 , xqhu at duke.edu wrote:

> I'm trying to implement PZ-SIC in PWSCF.

good luck!

> 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 general matrix. If you are familiar
> with the CG diagonalization, please tell me some details.

all I know is written here

Paolo

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Paolo Giannozzi, Democritos and University of Udine, Italy