Hi all,

As you know, we can not visualize electron density differences by CASTEP. However, we can not do that in Dmol3.

In the manual, it is written that electron density data is stored in the *.tpdensk formatted file. Here, my questions are as follows,

1. How can I reach the inside of *.tpdensk file? Could I convert this file to another extension? Could I convert this file to gaussian or molpro-type data file?

2. Which programme could I use? Multiwfn is only works for cubic cells. The Extensions of Gebedit is not compatible with the *.tpdensk type files. Could I convert this file to gaussian or molpro-type ( or etc.) data file to make it compatible with the other software?

My sole aim is to plot electron density differences through Dmol3 output similiar to CASTEP.

Thanks in advance.

Emre