[Pw_forum] what is alphamix(niter)

aaron at chips.ncsu.edu aaron at chips.ncsu.edu
Thu Feb 24 14:33:21 CET 2005

>From the Doc files:


 alpha_mix(niter) mixing factor (for each iteration) for alpha_mix(1)=0.7
                  vnew(in) = alpha_mix*vold(out) + (1-alpha_mix)*vold(in)

more info can be found using: 

grep -i alpha_mix $PW_HOME/*/*.f90
grep -i alphamix $PW_HOME/*/*.f90

the integer in parentheses is the iteration number for which you wish to 
set the alpha_mix.

Also once the alpha_mix is set, each consecutive iteration takes on the 
value of the last one if it is not specified.

On Thu, 24 Feb 2005, Aritz Leonardo wrote:

> Hi,
> I was having some trouble with a phonon calculation because of the 
> converging criteria could not be reached.
> Changing the default value of alphamix to 0.2 seems to work... but does 
> anybody know what am I really changing? and what is the integer inside 
> brackets?
> thanks a lot.
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