In nn.f there is twice dstmax=max(20.d0??, ...
Replacing 20.d0 by something larger should help. ________________________________ From: Wien <wien-boun...@zeus.theochem.tuwien.ac.at> on behalf of Parker, David S. <parke...@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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