I want to do Bader charge analysis and I have observed that the cub file generated from gaussian have problem in overlapping to its surface when opened in Vesta.
any suggestion what could be done to solve this.. !!
As Prof. Ivanova said, it will be better if you use Gview for .Cub file visualization. If you do not have access to Gview, possible alternative can be Avogadro, VMD, Pymol, Chemcraft, Molekel, Jmol and many more. In case you really need to use Vesta for this particular case, please send me a sample.cub file which is not rendered correctly, I'll be happy to take a look.
I've checked the .cub file and it seems that some data are missing, that's why Vesta is probably not rendering it properly. As a matter of fact I was even unable to construct the plot in either Avogadro or Gview. If you open the .cub file via any text editor , you can see that total number of grid points (first column of line 4-6) is =114*131*34=507756. However total number of data points (starting at line 30 till the end) is 378420. So, I think the file is incomplete. Please recheck whether it was generated properly, or best will be to regenerate the .cub file again via Gaussian or GView.