[Wien] ERROR IN OPENING NN.DEF

vinit sharma vinits31 at rediffmail.com
Thu May 10 05:18:24 CEST 2007


  
Respected all Wien users,
And thank you very much Prof. Uday for your kind suggestions.

Sir, I had just joined the group and trying to use Wien2k_07. I am practicing on  TiC example. when I pressed ./nn
Then results was
please specify nn-bondlength factor: (usually=2)
2
  ERROR IN OPENING NN.DEF !!!!
NN.DEF

And when [x nn] then
please specify nn-bondlength factor: (usually=2)
2
  ERROR IN OPENING UNIT:          20
        FILENAME:
 Wien2k.struct
    STATUS: old          FORM:formatted
OPEN FAILED
0.000u 0.001s 0:04.28 0.0%      0+0k 0+0io 0pf+0w
although both the TiC.struct and TiC.inst is in working directory.
and the nn.def file which was not in the working directory, created and the massage in it was
66,'Wien2k.outputnn','unknown','formatted',0
67,'Wien2k.nnshells','unknown','formatted',0
20,'Wien2k.struct',  'old',    'formatted',0
21,'Wien2k.struct_nn','unknown','formatted',0

Am I going right?
my humble request is kindly provide me proper guidance.
How to run SCF cycle and calculate other properties.
One more query please.
For using w2web is it necessary that your system must be connected through internet.
Or is there any other GUI is available to use Wien2k than w2web.

Waiting for your kind response.

Vinit Sharma

Compton profile lab,
Dept. of Physics,
M. L. Sukhadia University
Udaipur (Raj.) INDIA 
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