Number of data grids not match with each other

[DavidL]

Dear all,

I've generated Cube charge density files for Bader charge analysis. However, the number of data grids in the 3D data sets didn't match each other when I conducted "subtract from current data" operation by VESTA. Attachment 2 was separated from attachment 1 by Avogadro, and I didn't change any parameters. It is greatly appreciated if someone could tell me what happened. Thank you in advance.

[graeme]

See if you can set the grid explicitly in your calculation. In vasp, for example, this is with the NGXF, NGYF and NGZF variables.

[DavidL]

Dear graeme,

I am using Gaussian 09, so is there any parameters I can set?

[graeme]

Sorry, I don't know; you are on your own with Gaussian.