[Wien] Error LAPW0
Laurence Marks
L-marks at northwestern.edu
Mon Apr 2 21:28:11 CEST 2012
Did you redo the initialisation, you have to.
---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Apr 2, 2012 1:19 PM, "Antonio Vanderlei dos Santos - Fisica" <
vandao at urisan.tche.br> wrote:
> **
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> Dear users
>
> I modifications and decreases the structure, but now the seurge sequinte
> error.
>
> Error in LAPW1
> 'SELECT' - no energy limits found for L=
> 1
> 'SELECT' - E-bottom -17.57300 E-top
> -200.00000
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