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

[Peter Blaha]

Only a vague idea:
Maybe your csh shell is not ok.

Please edit in $WIENROOT the file x_lapw  and replace /bin/csh by /bin/tcsh

If this works, you should maybe do this change in all *_lapw scripts (or
install a proper csh, eventually simply copying tcsh over csh).

John Bevington schrieb:
> 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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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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