Total dipole moment

[berna]

I am using ATK 2017.1 and 2017.2.  Both of them gave same error. You can download my hdf5 file from this link:
https://www.dropbox.com/s/lkayzhsg9ran4hg/ns33-m.hdf5?dl=0

The script I used was attached as a file.

[Petr Khomyakov]

Your script does not look like identical to the one in the manual. Generate the Electron Density and use the script from the manual. I enclose the script to my post.

[berna]

Thank you. It worked.