Search found 32 matches
- Thu Mar 22, 2007 7:13 pm
- Forum: Bader
- Topic: Problems in charge calculations
- Replies: 2
- Views: 9692
- Sat Mar 10, 2007 7:23 pm
- Forum: Bader
- Topic: disappearing charges on non-H atoms and strange distances
- Replies: 9
- Views: 20600
I've calculated your system with vasp, using the same grid density as yours. I translate your molecule a little, but the structure is the same as yours. I didn't have the same problem as you. My result is: # X Y Z CHARGE MIN DIST Atom type ------------------------------------------------------------...