[Wien] Error in Nearest neighbor program when running TiC example

John Bevington jbev85 at hotmail.com
Tue Jul 15 01:47:21 CEST 2008


After compiling wien2k, I tired to run the TiC example as per the Quick Start instructions in the UG.  I can generate a structure file using StuctGen and view the TiC structure with XCRYSDEN.  However, when I try to run nn (nearest neighbors) under initialize calc I get the following error:

Commandline: x nn
Program input is: "2 "

argv1: Subscript out of range.

I've searched the mailing list, checked and re-checked the users guide and found nothing.  Am I missing something simple?  Please help...

- Thanks

P.S.  My system info:

Dell workstation T7400 (w/dual Xeon quad core processors)
Fedora 9
Intel fortran compiler 10.1.015
Intel MKL 10.0.3.020
wien2k v8.2
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