[DFTB-Plus-User] local currents- flux issue

[Leonardo Villegas]

Dear staff,

I tried to use the pre- compiled executavel flux of yours, within the local
currents DFTB+/test folder. Previously, I succeeded in generating all
output needed files as currents*.dat, *.xyz ...however when I run the flux,
I get always the same message fortran error every time, like:

flux supercell.xyz -b lcurrents_u.dat 3 -w
*At line 61 of file
/mnt/scratch/aradi/gnu-mkl/dftbplus-21.2/app/transporttools/flux.f90*

The same error shows up for my own transport tools compilation,

Thanks for your help,

Best regards,




-- 
*Leonardo Villegas*
*Visiting Professor*
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