[Wien] Upper energy bound

[georg at chem.au.dk]

Probably your NUME parameter is too small

 Best wishes 
   Georg

Quoting Leonardo Pisani <pisani at itp.uni-frankfurt.de>:

> Dear Wien Users,
> 
> does anybody know what could be the reason why the actual calculated upper 
> energy eigenvalue is in some calculations lower than the upper bound
> specified in the input file for lapw1 ?
> For example, in my calculation the upper bound in case.in1 is 1.5 Ryd and the
> 
> upper calculated eigenvaule in file case.energy is 0.5 Ryd .
> 
> Thanks in advance,
> Best Regards,
> Leonardo pisani.
> 
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-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885