<P>
Hello Sir...<BR>
<BR>
When i submit the calcined-alpo18 for the calculation of EFG by using Wien2k. & i initilize the calculation.during this initilization calculation i give the commandline: X group and it give me following error.....<BR>
<BR>
Commandline: x sgroup <BR>
Program input is: "" <BR>
<BR>
error: beta = 90.010000 and not equal 90. Exiting now.<BR>
error: beta = 90.010000 and not equal 90. Exiting now.<BR>
diff: cal-alpo18.outputsgroup: No such file or directory<BR>
error: beta = 90.010000 and not equal 90. Exiting now.<BR>
0.00u 0.00s 0:00 0% 0+0k 0+0io 0pf+0w<BR>
<BR>
<BR>
<BR>
<BR>
<BR>
Continue with<BR>
<BR>
How can i solve this problem?<BR>
If anybody know so give me a solution.<BR>
<BR>
Thanks for all<BR>
<BR>
regard<BR>
Yamini<BR>
<BR>
<BR>
<BR>
<BR>
<BR>
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</P>
Yamini Avadhut
<br>
Central NMR Facility
<br>
National Chemical Laboratory
<br>
Pune-411 008
<br>
India<br><br>
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