[Wien] Error LAPW0

Antonio Vanderlei dos Santos - Fisica vandao at urisan.tche.br
Mon Apr 2 21:59:54 CEST 2012


 

I managed to reduce my structure.
I can start the calculation.
No
longer appears ghost bands.
But is running indefinitely LAPW2C. 

Em
02/04/2012 16:28, Laurence Marks escreveu: 

> Did you redo the
initialisation, you have to. 
> 
> ---------------------------
>
Professor Laurence Marks
> Department of Materials Science and
Engineering
> Northwestern University
> www.numis.northwestern.edu [3]
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 [4]> wrote:
> 
>> 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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