bader charge error

[omerelmutasim_elfaki]

Dear all
I did bader charge analysis, but i got the below error:
The files are attached in the following drobox link:
https://www.dropbox.com/s/2hwim24n2bi05 ... r.zip?dl=0


Error:

" At line 200 of file /tmp/bigdft-suite/bigdft/src/tools/bader/dipole_mod.f90
Fortran runtime error: Index '1' of dimension 1 of array 'ions%atomic_num' above upper bound of 0

Error termination. Backtrace:
#0 0x7f5d9996b2ed in
#1 0x7f5d9996bed5 in
#2 0x7f5d9996c2a7 in
#3 0x5562c8b2a39f in __dipole_mod_MOD_dipole_output
at /tmp/bigdft-suite/bigdft/src/tools/bader/dipole_mod.f90:200
#4 0x5562c8b09196 in charge
at /tmp/bigdft-suite/bigdft/src/tools/bader/main.f90:96
#5 0x5562c8b08cf8 in main
at /tmp/bigdft-suite/bigdft/src/tools/bader/main.f90:41
"

[ferenc_karsai]

Please post your calculation according to the forum guidelines (POSCAR, INCAR, KPOINTS, POTCAR) so that we can reproduce the calculation.

[omerelmutasim_elfaki]

Sorry, please find the below dropbox link for the input files:
https://www.dropbox.com/sh/jt4vuln4yuti ... gZ6Aa?dl=0

[ferenc_karsai]

Which version of VASP did you use?

[ferenc_karsai]

And compiler toolchain?

[ferenc_karsai]

I tried to run it, the calculation takes too long for testing on our machines.
How far did the calculation go until you got the error? Please provide your stdout.

[omerelmutasim_elfaki]

Dear Dr. ferenc karsai
I re-installed it again and it works now.
Thanks a lot for your swift responses.
Regards

[ferenc_karsai]

I'm glad that it works for you now.