Dear Lucy,
Please, provide your struct file and specify exactly what you want to do. Or
are you using the same Pb struct file?
?
Regards?
Chinedu Ekuma? Ekuma
Department of Physics and
Astronomy???????????????????????????????????????????????
Louisiana State University???????????????????????????????????????????????????
202 Nicholson Hall, Tower
Dr???????????????????????????????????????????????????????????
Baton Rouge, Louisiana, 70803-4001???????????????????????????
??????????????????????????????
?
...The Ways of God are Mysterious
??????????????????? As Always
I wish you God's PANACEA
? ????????????????????????????????
?
?
?
________________________________
From: Lucy Kiruri <lkirur1 at tigers.lsu.edu>
To: wien at zeus.theochem.tuwien.ac.at
Sent: Thursday, June 21, 2012 1:40 PM
Subject: [Wien] structeditor load struct problem with octave
Dear Slomski,
I am have the same problem you had with wien2k while generating a slab. I tried
to check for responses but i didn't see any. below is the question am referring
too:
****************************************************************************************************************
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 2oble 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.
*************************************************************************************************
How did you solve this problem. Please help me. Thank You.
Warm Regards.--
Lucy W. Kiruri
Graduate Student
Louisiana State University, Chemistry Dept.
Baton Rouge, LA 70803-1804
Email:?lkirur1 at tigers.lsu.edu
CellPhone: 2252292311
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