[Wien] klist in CLMSUM changed

[Laurence Marks]

You should ignore this. I've no idea why dstart has a different order,
it should not, not a significant enough issue to try and clean (there
are more important ones). MIXER prints the message for every
difference it finds which is overkill -- also a minor point that
should sometime be fixed.

On 1/3/07, Gerardo Felix Martinez <gjfelix2005 at gmail.com> wrote:
> Thanks for your quick reply¡¡ i appreciate.
>
> I only received this message in the mixer stage of the first cycle, but in
> the dayfile, approximate 80000 lines of this message appears (INFO:K-LIST in
> CLMSUM changed in MIXER  ##) where ## means any number between 1 and 88410).
> Then, my case converged with no problem. Should i ignore it? What may be
> wrong in dstart?
>
> On 1/3/07, Laurence Marks <L-marks at northwestern.edu> wrote:
> > Ignore it, it is not important. All it means is that the list of
> > k-vectors was slightly different in dstart compared to what was
> > produced by lapw2. If you saw it many times it would indicate that
> > something was wrong.
> >
> > On 1/2/07, Gerardo Felix Martinez <gjfelix2005 at gmail.com> wrote:
> > > Hi dear Wien users¡¡¡
> > >
> > > After the first cycle of my case, i received the following message :
> > >
> > >
> > > INFO: K-LIST in CLMSUM changed in MIXER  4
> > >
> > > INFO: K-LIST in CLMSUM changed in MIXER  5
> > >
> > > INFO: K-LIST in CLMSUM changed in MIXER  7
> > > and so on until
> > >
> > > INFO: K-LIST in CLMSUM changed in MIXER  88410
> > >
> > > then, it continues with cycle 2 as nothing happened.
> > >
> > > What this mean? is my calculation still correct?
> > > I've tried to found something about this in the mail list but i haven't
> > > found anything. Thanks a lot.
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> > >
> > >
> > >
> >
> >
> > --
> > Laurence Marks
> > Department of Materials Science and Engineering
> > MSE Rm 2036 Cook Hall
> > 2220 N Campus Drive
> > Northwestern University
> > Evanston, IL 60208, USA
> > Tel: (847) 491-3996 Fax: (847) 491-7820
> > email: L-marks at northwestern dot edu
> > http://www.numis.northwestern.edu
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
>
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>


-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu