Printing BV for multiple atoms in a single file & unable to print BV for all atoms

[Jatin19k]

Please help me with below questions:

1) Why I don't gets 205 cube files for a system containing 205 atoms for all_atom flag.
2) How to print a cube file showing bader volumes of let's say 2 atoms.

Thank you very much.

[graeme]

You should get a BvAtxxxx.dat for each atom, if you use a command such as:

bader cubefile -p all_atom

If you want to print out the charge density for two atoms, you can use:

bader cubefile -p sel_atom 1-2

or

bader cubefile -p sel_atom 1
bader cubefile -p sel_atom 3