Bader charge density analysis
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?
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You can print the Bader volumes using the -p option and view the chgcar/cube style files. Each volume can be printed with a non-zero value in the volume and zero outside. Setting a low value for an isosurface in vmd will show you an outline of the Bader volume.
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