[Wien] octave3

John Rundgren jru at kth.se
Wed Sep 24 12:15:20 CEST 2014


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 generated
warning: 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



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