[Wien] x nn invalid null command.
Vit
vitruss at gmail.com
Fri Sep 3 06:52:03 CEST 2010
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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