I wish perform Bader's AIM analysis in some molecules, however when I use gaussian09, they crash due to the integration method.
You can download Bader's program here
http://theory.cm.utexas.edu/bader/
It takes a Gaussian cube file as input
You can download Bader's program here
http://theory.cm.utexas.edu/bader/
It takes a Gaussian cube file as input
If you could get the Bader's program to work let me know please. It is been a while that I can't compile the code on linux. People say that you need intel fortran compiler (expensive) and none of native linux compilers (gfrotran,g77,g95 and gcc) work with the code.
I just came across this code:
http://theory.cm.utexas.edu/bader/
I tried this with some of my gaussian outputs (which gaussian aim crashed for them) and it works (I can't comment on the quality now.).
Prof. Chamorro try with Multiwfn, it also contains a easy to read manual with many examples to work with.
Multiwfn is really great for this purpose. Other than that, you can do a number of visualization and intepretation just by using files of gaussian or nwchem.
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