[Wien] structeditor load struct problem with octave

Bartosz Slomski bartosz.slomski at psi.ch
Fri Aug 6 14:28:47 CEST 2010


Dear developers and users of Wien2k,

during the workshop I have learned how to create a slab using the 
supercell tool and structeditor tool written in octave. With supercell 
everything works fine, but I need structeditor because the atoms "grow" 
in [111] direction. The steps were quite clear and it worked. On my 
system, however it fails, and so far I need help. These are the 
steps,which I used to creat a slab.

1) creating a unit cell as usually will give me name.struct (in my case 
Pb.struct)

2) then i went to the directory where name.struct is and started octave

3) s = loadstruct(Pb.struct)

After this I get the error:

octave:2> s=loadstruct(Pb2.struct)
error: `Pb2' undefined near line 2 column 14
error: evaluating argument list element number 1
error: evaluating assignment expression near line 2, column 2

I also tried s=loadstruct("Pb2.struct")

But this gave me the error message:

octave:3> s = loadstruct("Pb2.struct")
error: `strcmp' undefined near line 18 column 11
error: if: error evaluating conditional expression
error: evaluating if command near line 18, column 7
error: called from `loadstruct' in file 
`/home5/slomski/build/SRC_structeditor/bin/loadstruct.m'
error: evaluating assignment expression near line 3, column 3

I also scanned the mailing list, but did not found any solution to this 
problem.

I am thankful for any hint on this.

 






-- 
Bartosz Slomski
------------------------------------------
Swiss Light Source, Paul Scherrer Institut
WSLA/205
CH-5232 Villigen PSI, Switzerland
Tel: +41 (0)56 310 5694
------------------------------------------
Physik-Institut, Universität Zürich
Winterthurerstr. 190
CH-8057 Zurich, Switzerland
Tel: +41 (0)44 635 5824



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