[Wien] structeditor load struct problem with octave

[Chinedu Ekuma]

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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