UT theoretical chemistry code forum

Is it the total number of electron or the valence electron? In the H2O case, I guess the total electron makes more sense. However, I tried the other example C2H4. The total electron in the ACF.dat is 12.000 which is 4*2+1*4. The valence electron is 4 for C but the total number is 6. It is a little c...

I am playing with Bader code on gaussian output of a water molecule. The BCF.dat looks weird to me: # X Y Z CHARGE ATOM DISTANCE ------------------------------------------------------------------------- 1 0.0000 -1.4415 -0.8307 0.5068 3 0.0643 2 -0.4474 0.0000 0.3126 3.6713 2 0.4583 3 0.4473 0.0000 ...

I ran Bader with the example file for H2O (gaussian cube). The BCF.dat looks like this: # X Y Z CHARGE ATOM DISTANCE ------------------------------------------------------------------------- 1 0.0000 -1.4362 0.9827 0.3766 3 0.0060 2 0.0000 0.0000 -0.1512 9.2510 2 0.0282 3 0.0000 1.4362 0.9827 0.3766...

Hi I ran Bader on the gaussian cube file which contains charge density using the following command.
bader [cube file]
THe following three files were generated: BCF.dat; AVF.dat; ACF.dat. Is AVF.dat the volume file? How do I visualize it in VMD?