[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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