[Wien] x nn invalid null command.

[Peter Blaha]

Most likely you can ignore this. It seems you still have a  "hup" command
in x_lapw and your system does not recognize it.

Am 03.09.2010 06:52, schrieb Vit:
> Dear Wien2k users,
> We are new to using wien and now on fresh wien install we have some problems.
>
> After folowing manual on page 24 and starting x nn here is the line (*Invalid null command.)*, which is realy confusing.
> Here is the output:
>
> Commandline: x nn
> Program input is: "2 "
>
> *Invalid null command.*
> STOP NN ENDS
> specify nn-bondlength factor: (usually=2) [and optionally dlimit (about 1.d-5)]
> DSTMAX: 20.000000000000000
> NAMED ATOM: Ti1 Z changed to IATNR+999 to determine equivalency
>
> ATOM 1 Ti1 ATOM 2 C
> RMT( 1)=2.09000 AND RMT( 2)=1.85000
> SUMS TO 3.94000 LT. NN-DIST= 4.08937
>
> ATOM 2 C ATOM 1 Ti1
> RMT( 2)=1.85000 AND RMT( 1)=2.09000
> SUMS TO 3.94000 LT. NN-DIST= 4.08937
> 0.0u 0.0s 0:00.00 0.0% 0+0k 0+32io 0pf+0w
>
>   At the same time there is nothing wrong in :log.
> Could you please help we to find this error?
> With best regards,
> Koroteev Victor.
>
>
>
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> Wien at zeus.theochem.tuwien.ac.at
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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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