[Wien] [EXTERNAL] Re: nn distance limit

[Tran, Fabien]

In nn.f there is twice

dstmax=max(20.d0??, ...

Replacing 20.d0 by something larger should help.


________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Parker, David S. <parkerds at ornl.gov>
Sent: Wednesday, November 11, 2020 8:57 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] [EXTERNAL] Re: nn distance limit

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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