[Pw_forum] flow-chart in PWSCF

Paolo Giannozzi giannozz at democritos.it
Wed Mar 17 15:09:56 CET 2010


S. K. S. wrote:

>     Is there such a flow-chart in PWSCF also?

not that I know

>     If not, then I would like to know whether PWSCF
>     follows the same flow-chart or not?

all self-consistent codes follow more or less the same flow chart

>     I mean, PWSCF check energy convergence or
>     density scf convergence or both?

the latter. More detials in the QE paper

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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