[DFTB-Plus-User] Segmentation Fault while using flux program for local current

[Mohammad Amir Bazrafshan]

Dear Sumit,

This problem may be due to numerical issues. It may be a good idea to
impose a small potential difference between the contacts. To check the
integrity of the flux tool, you can try different values after -w and -f,
or as a better suggestion, try the example that is available in:
https://github.com/dftbplus/recipes/tree/main/docs/_archives/recipes/transport/local-currents

Sincerely,
M.Amir

>
> Hello,
>
>
> I'm trying to get transmission pathways through local current calculation.
> The SCC calculation converged (for all source, drain, and the device), the
> problem occurs while I'm using flux program as:
>
> flux supercell.xyz -b lcurrents_u.dat 3 -w 0.3 -f 1.0 > scr.jmol
>
> it is showing:
>
> Program received signal SIGSEGV: Segmentation fault - invalid memory
> reference.
>
> Backtrace for this error:
> #0  0x442b9f in ???
> #1  0x49441e in ???
> #2  0x41d781 in list_formatted_read_scalar
>     at ../.././libgfortran/io/list_read.c:2253
> #3  0x401fe9 in ???
> #4  0x400cbc in ???
> #5  0x444ec0 in ???
> #6  0x4012ad in ???
> Segmentation fault (core dumped)
>
>
> I have attached the input file for your reference. Please suggest me what
> is causing the error.
>
>
> Regards,
>
>
> Sumit
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