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