I've made a patch which allows bader to read cube files as reference densities:
http://dcwww.camd.dtu.dk/~jovo/bader_cuberef.diff
Run
patch -p1 <somepath/bader_cuberef.diff
inside the bader source directory to apply the patch.
Bader will distinguish between cube and chgcar automatically.
Search found 1 match
- Tue Sep 18, 2007 10:23 am
- Forum: Bader
- Topic: Bader with Gaussian cube reference
- Replies: 7
- Views: 18384