INPUT_PH: 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 and 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. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >