[DFTB-Plus-User] R: local current

[Alessandro Pecchia]

Hi Aicha,

 

but the SEGFAULT comes from the flux code ? Do you get the file lcurrents_u.dat from dftb+ ? 

 

Maybe you can send it to me. Yesterday you sent me a file but it keep stalling my mail reader.

Can you share the file in a different way ?

 

Thank you.

 

Alex

 

 

Da: DFTB-Plus-User [mailto:dftb-plus-user-bounces at mailman.zfn.uni-bremen.de] Per conto di Khemissi Aicha
Inviato: domenica 6 febbraio 2022 07:51
A: DFTB-Plus-User at mailman.zfn.uni-bremen.de
Oggetto: [DFTB-Plus-User] local current

 

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 <http://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 ?

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