[Wien] klist in CLMSUM changed

Laurence Marks L-marks at northwestern.edu
Wed Jan 3 12:27:57 CET 2007


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  1
>
> 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


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