Hello, I appreciate the web interface for wien2k.
However, I would like to use pure online commands, without manually entering any data into web interface. I tried this sequence of commands below (extracted from web interface with the TiC example), but without success. inp=TiC.struct instgen_lapw < $inp x -d nn x sgroup x symmetry instgen_lapw -s -up #kgen 30 1 x -d kgen dstart run_lapw -ec 0.0001 -NI Any help, please ? Miro
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html