[Pw_forum] Can ph.x use 'cg' diagonalization?

[GAO Zhe]

Prof. GIannozzi, thank you very much. It is really helpful to me.


--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 
At 2012-01-07 17:11:01,"Paolo Giannozzi" <giannozz at democritos.it> wrote:

>
>On Jan 7, 2012, at 2:35 , GAO Zhe wrote:
>
>> Is it possible to use conjugate gradient in ph.x ?
>
>edit routine "set_defaults_pw.f90", change "isolve=0" to
>"isolve=1", recompile
>
>P.
>---
>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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