[Smeagol-discuss] smeagol-discuss

[Ivan Rungger]

Dear Zhao Baoyi,

the code can not properly read the bulklft.DAT file. It seems that the
file is too short, and that the program expects more input from the
file. The reason for this might be a mismatch between leads and
scattering region. To check this you can check if the same supercell was
built for both the leads and scattering region. If you send to the
mailing list the output files for both leads and scattering region it
should be possible to find the problem.

Cheers,

Ivan


zhao_baoyi wrote:
> Dears all,
> When I repeat the example of the benzene1,4dithiol conjuction ,I come
> across such errors as following:
> [hebei at chenxl bene]$ forrtl: severe (24): end-of-file during read,
> unit 14, file /home/hebei/bene/bulklft.DAT
> Image PC Routine Line Source
> smeagol 082F8770 Unknown Unknown Unknown
> smeagol 082F6F09 Unknown Unknown Unknown
> smeagol 082C62A2 Unknown Unknown Unknown
> smeagol 082938EA Unknown Unknown Unknown
> smeagol 082B0991 Unknown Unknown Unknown
> smeagol 081F6F50 Unknown Unknown Unknown
> smeagol 081A17AD Unknown Unknown Unknown
> smeagol 081EEE30 Unknown Unknown Unknown
> smeagol 081F1EBB Unknown Unknown Unknown
> smeagol 0814BC48 Unknown Unknown Unknown
> smeagol 0804AF6E Unknown Unknown Unknown
> libc.so.6 00758E33 Unknown Unknown Unknown
> smeagol 0804AEA1 Unknown Unknown Unknown
> [1]+ Exit 24 smeagol <bene.fdf >bene.out
> Could you help me pick out the reasons>
> Thanks in advance.
>
>
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-- 
=================================================
Ivan Rungger,

School of Physics,  
Trinity College Dublin,  
Dublin 2,  IRELAND  
Phone: +353-1-6088454  
Email: runggeri at tcd.ie

=================================================