Hi andrea,
From my limited experience of this program (so far!), it appears that the small dimensions of your grid are almost certainly giving rise to your problem.
Using the cubegen facility that ships with Gaussian, it is possible to specify a larger number of grid points. Check out the page on ...
Search found 2 matches
- Wed Jan 29, 2014 12:46 pm
- Forum: Bader
- Topic: Bader charges for symmetric molecules (II)
- Replies: 2
- Views: 16101
- Wed Jan 29, 2014 12:32 pm
- Forum: Bader
- Topic: Fortran Runtime Error: Very large Bad number
- Replies: 0
- Views: 21658
Fortran Runtime Error: Very large Bad number
Hi Baders,
FIrst of all many thanks for allowing us use of this program, it is proving very useful!
My current problem concerns performing Bader analysis on very large dimension cube files (on windows, generated by Gaussian). I have successfully executed your program on cube files with dimensions ...
FIrst of all many thanks for allowing us use of this program, it is proving very useful!
My current problem concerns performing Bader analysis on very large dimension cube files (on windows, generated by Gaussian). I have successfully executed your program on cube files with dimensions ...