Thank you very much for your answer.
I had not taken into account the instructions presents in this webpage.
Now my problem is solved and now all atoms "exist".
Thanks once again
Search found 2 matches
- Wed Mar 18, 2009 9:39 pm
- Forum: Bader
- Topic: Strange results in Bader volumes
- Replies: 6
- Views: 13738
- Mon Mar 16, 2009 2:41 pm
- Forum: Bader
- Topic: Strange results in Bader volumes
- Replies: 6
- Views: 13738
Strange results in Bader volumes
Hi, this is the first time I use this Bader analysis tool and I have found strange results for my kaolinite surface (Al and Si oxide). The volume and charge assigned to Al and Si are zero. Moreover, for some protons also charge and volume is zero. After that I decided to increase FFT grid points, bu...