<P>
<BR>
Respected all Wien users,<BR>
And thank you very much Prof. Uday for your kind suggestions.<BR>
<BR>
Sir, I had just joined the group and trying to use Wien2k_07. I am practicing on TiC example. when I pressed ./nn<BR>
Then results was<BR>
please specify nn-bondlength factor: (usually=2)<BR>
2<BR>
ERROR IN OPENING NN.DEF !!!!<BR>
NN.DEF<BR>
<BR>
And when [x nn] then<BR>
please specify nn-bondlength factor: (usually=2)<BR>
2<BR>
ERROR IN OPENING UNIT: 20<BR>
FILENAME:<BR>
Wien2k.struct<BR>
STATUS: old FORM:formatted<BR>
OPEN FAILED<BR>
0.000u 0.001s 0:04.28 0.0% 0+0k 0+0io 0pf+0w<BR>
although both the TiC.struct and TiC.inst is in working directory.<BR>
and the nn.def file which was not in the working directory, created and the massage in it was<BR>
66,'Wien2k.outputnn','unknown','formatted',0<BR>
67,'Wien2k.nnshells','unknown','formatted',0<BR>
20,'Wien2k.struct', 'old', 'formatted',0<BR>
21,'Wien2k.struct_nn','unknown','formatted',0<BR>
<BR>
Am I going right?<BR>
my humble request is kindly provide me proper guidance.<BR>
How to run SCF cycle and calculate other properties.<BR>
One more query please.<BR>
For using w2web is it necessary that your system must be connected through internet.<BR>
Or is there any other GUI is available to use Wien2k than w2web.<BR>
<BR>
Waiting for your kind response.<BR>
<BR>
Vinit Sharma<BR>
<BR>
Compton profile lab,<BR>
Dept. of Physics,<BR>
M. L. Sukhadia University<BR>
Udaipur (Raj.) INDIA
</P>
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