Dear Pradeep Kumar Pal , Follow the below steps:

1- Open .fchk file with GaussView

2- Results

3- Surfaces/Contours...

4- Cubes Available, Cube Actions, New Cube, Type (Spin Density), OK

5- Surfaces Available, Surface Actions, New Surface

6- Done !!!

The resulting surface will be like this (attached).

Dear Pradeep Kumar Pal , Follow the below steps:

1- Open .fchk file with GaussView

2- Results

3- Surfaces/Contours...

4- Cubes Available, Cube Actions, New Cube, Type (Spin Density), OK

5- Surfaces Available, Surface Actions, New Surface

6- Done !!!

The resulting surface will be like this (attached).

Hello Pradeep

You can try this too :

https://www.researchgate.net/post/How_one_can_get_Spin_Density_plot_or_HOMO_LUMO_by_using_VMD_from_gaussian_calculation

Pansy

Dear Melek Hajji I tried using the same steps as you said, but the generation of cube file failed. Please find the attached image for the details.

Dear Pansy D. Patel, opening the cube file simply shows me the molecule not the ISO surface, as i found in the link provided. Please tell me how to visualise the ISO surface.

Melek Hajji I tried your alternative too, however the spin density option appears disabled. Is it necessary to add any command in the .gif file?

Dear colleagues, Renyer Costa and Pradeep Kumar Pal ,

It's necessary that .chk file should be obtained from a calculation (optimization or SP energy ) in which an unrestricted open-shell formalism was used in the input. So, the output file (.log) should contains the spin densities for each atom (see attached image). Additionally, you can try these steps with my .fchk file (attached), it works perfectly for me. If not, you can send me your files ([email protected])

Regards

Dear Melek Hajji thanks for the information. The file that you send open very well. Could you send your .log file? I would like to test this on my structures!

Dear Renyer,

Here are the .gjf and .log files you requested.