[DFTB-Plus-User] local current

Khemissi Aicha khemissiaicha8 at gmail.com
Sun Feb 6 07:50:50 CET 2022


Dear Users,
I am interested in calculating the local current in a carbon nanotube ,I
did the calculation but couldn't get the result when using the command
''flux supercell.xyz -a lcurrents_u.dat 3 -w 0.3 -f 1.0 -c black > scr.jmol
* ",* although this option is activated and flux.90 has been compiled
Solver = GreensFunction{
     LocalCurrents=Yes
     delta = 5e-4
     verbosity = 100
     #ReadSurfaceGFs = Yes
  }
I have got this message error:
Program received signal SIGSEGV: Segmentation fault - invalid memory
reference.
Backtrace for this error:
#0  0x442b9f in ???
#1  0x41bac8 in read_real
at ../.././libgfortran/io/list_read.c:1872
#2  0x41d695 in list_formatted_read_scalar
at ../.././libgfortran/io/list_read.c:2180
#3  0x402055 in ???
#4  0x400cbc in ???
#5  0x444ec0 in ???
#6  0x4012ad in ???
Erreur de segmentation (core dumped)
What could be the origin of this error ?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220206/08f7f068/attachment-0001.htm>


More information about the DFTB-Plus-User mailing list