UT theoretical chemistry code forum

Hello,

I have a molecule with 16 carbon atoms and 8 sulfur atoms. I wanted to calculate the AIM charges for this molecule.. I have generated the cube file using gaussian utility for the neutral species, and performed the charge computation using the bader (new version).

In my output file (ACF.dat ...

hello, may be it is a stupid question, but I cannot resist myself. :(

How many times we need to refine the EDGE, and what is the criterion ?

I asked it because I run a computation and the automatic refining went up to 100.

or it is just I am doing some thing wrong ?

-gopan

thank you very much sir, it is now working :)

Hello, I have downloaded the binaries for the linux version, bader_lnx.tar.gz

I have unzipped the binary, gave the executable permission.

But I couldnot run the program, it shows the following error.

$ ./bader
bash: ./bader: cannot execute binary file

can any body help ?