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.
Search found 1 match
- Tue Oct 13, 2020 8:46 pm
- Forum: Bader
- Topic: Printing BV for multiple atoms in a single file & unable to print BV for all atoms
- Replies: 1
- Views: 50381