[Wien] [EXTERNAL] Re: nn distance limit

[Laurence Marks]

x nn
 specify nn-bondlength factor: (usually=2) [and optionally dlimit, dstmax
(about
  1.d-5, 20)]

Then just enter whatever you want, e.g. 4 instead of the default 2. Too
large a number can take a while, particularly for a large cell.

On Wed, Nov 11, 2020 at 1:58 PM Parker, David S. <parkerds at ornl.gov> wrote:

> Does anyone know how to extend the distance limit that nn
>
> Causes atomic distances to be written to case.outputnn? Above
>
> A certain value (about 3.5) input at the prompt following ‘x nn’,
>
> The case.outputnn file does not continue to increase the maximum
>
> Distance. I am using the WIEN2K_19 version. Presumably there is a
>
> Parameter somewhere in the software that can be changed.
>
>
>
> Thanks,
>
> David Parker
>
>
>
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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