Dear WIEN2k team,
Problem with octave sshift:
>t1=loadstruct("GaAs.struct")
>t2=makeconventional(t1)
>t3=sshift(t2,1,[0.0 0.0 0.1])sshift makes no operation and t3=t2. The full content of t2 and t3 are written out on the screen, so t3=t2 is easily seen.
On the screen a diagnosis appears: octave:4> t3=sshift(t2,1,[0.0 0.0 0.1]) sh: 1: tcsh: not found cp: cannot stat ‘tmpsave.struct_ncmsym’: No such file or directory sh: 1: tcsh: not found cp: cannot stat ‘tmpsave.struct_ncmsym’: No such file or directory smultatom: no spgroup specified, sym. op. are generated showequivalent: no spgroup specified, sym. op. are generatedwarning: showequivalent: some elements in list of return values are undefined
My WIEN2k is successfully installed with .bashrc. How can one get sshift going? Regards, John Rundgren _______________________________________________ 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
