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Dear Developer and user,</div>
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So far, I did not get any answer for error in initialization of IRelast using {set_elast_lapw} script.</div>
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Structure is tetragonal {87_I4/m }. In my previous mail, I already sent structure file.</div>
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error was {at the end of set_elast_lapw script}</div>
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---------------------------------</div>
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setupc program found.</div>
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goto: Too many arguments.</div>
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------------------------------------ and not folders created in elast directory.</div>
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Any how, I found some thing but I still have doubt.</div>
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in set_elast_script, there is a command at line No. 42, 43 and 49 which are as:</div>
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sgroup -wi $file.struct | grep "Bravais"|cut -c18-18</div>
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in</div>
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set sym=`sgroup -wi $file.struct | grep "Bravais"|cut -c18-18`</div>
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which give output if i do manually as:</div>
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----------------if not use cut--------------</div>
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warning: !!! Bravais lattice has changed.</div>
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Bravais lattice: Rhombohedral</div>
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-------------------if used cut-----------</div>
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a</div>
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R</div>
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From above output lines, probably it will take multiple arguments for structure and make Too many arguments error.</div>
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Although I did some thing manualy using command {cat} as:</div>
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set bravais=`cat $file.outputsgroup | grep "Bravais"`</div>
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set inf=`cat $file.outputsgroup | grep "Number and" | cut -c33-`</div>
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echo "---> $bravais <---"</div>
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echo "---> $inf <---"</div>
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echo ""</div>
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sleep 2</div>
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set sel=`echo "setelast"`</div>
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set sym=`cat $file.outputsgroup | grep "Bravais"|cut -c18-18`</div>
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It works and directories are created in elast folder.</div>
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But again, calljob_lapw have same command line.</div>
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But not sure it is correct or not. Your kind help is needed.</div>
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Please help..</div>
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Dr. KISHOR KUMAR/डॉ. किशोर कुमार</div>
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Department of Physics/भौतिक विज्ञान विभाग</div>
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