[Wien] Octave fails to read the structure file

Robert Laskowski rolask at theochem.tuwien.ac.at
Mon Apr 28 16:19:31 CEST 2008


I cannot reproduce your problem. If you want I can send you my recent version of structeditor.

regards

Robert

On Monday 28 April 2008 14:18:55 Oleg Rubel wrote:
> Dear Wien2k Users,
> 
> I have a problem with reading a simple structure file of 2-atom zinc 
> blende GaAs using octave. The structure file is attached and seems to be 
> OK. Moreover, I can read other structure files (N2 molecule or some 
> surfaces) without problems. Here is the error message:
> 
>      octave2.9:1> version
>      ans = 2.9.9
>      octave2.9:2> s=loadstruct("GaAs2.struct")
>      forrtl: severe (64): input conversion error, unit 20, file /home/rubel/wien_work/GaAs2/RKMAX_8.0_RMT_2.0_LDA/GaAs2/GaAs2.struct
>      Image              PC                Routine            Line        Source
>      readwrite          000000000047CA3E  Unknown               Unknown  Unknown
>      readwrite          000000000047BC3A  Unknown               Unknown  Unknown
>      readwrite          000000000043CC2A  Unknown               Unknown  Unknown
>      readwrite          0000000000414542  Unknown               Unknown  Unknown
>      readwrite          0000000000413B5E  Unknown               Unknown  Unknown
>      readwrite          0000000000425F01  Unknown               Unknown  Unknown
>      readwrite          0000000000407170  Unknown               Unknown  Unknown
>      readwrite          000000000040A3AB  Unknown               Unknown  Unknown
>      readwrite          0000000000403062  Unknown               Unknown  Unknown
>      libc.so.6          00002B28B22C94CA  Unknown               Unknown  Unknown
>      readwrite          0000000000402FAA  Unknown               Unknown  Unknown
>      error: load: unable to open input file `struct.read'
>      error: called from `loadstruct' in file `/home/rubel/WIEN2k_v08.mkl_10_mpi/SRC_structeditor/bin/loadstruct.m'
>      error: evaluating assignment expression near line 2, column 2
> 
> Do you have an idea what goes wrong? Can anyone reproduce the error?
> 
> Thank you in advance
> 
> Oleg Rubel
> 
> ===========================
> Faculty of Physics
> Philipps University Marburg



-- 
Dr Robert Laskowski

Vienna University of Technology, 
Institute of Materials Chemistry, 
Getreidemarkt 9/165-TC, A-1060 Vienna

tel. +43 1 58801 15686
Fax  +43 1 58801 15698


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