Vishnu Vijay

3 Questions 1 Answers 0 Followers

Questions related from Vishnu Vijay

When I tried to create .den file using Gaussian09 for a molecule containing selenium it showed an error message.

I used pop=esp. I was creating the density file for PIXEL energy calculations using Gavezzoti's CLP-PIXEL package. Can anyone tell me how this problem can be solved? It showed the error message...

06 June 2017 2,850 0 View

I am currently trying to figure out how CLP-PIXEL works.Does anyone know how to create .den file from .gjf file in Gaussian 09?

The step is essential for further PIXEL calculations.

06 June 2017 7,716 3 View

I am currently trying to figure out how CLP-PIXEL work in order to quantify inter-molecular interactions. How to run the the software in Linux?

I want to find the inter-molecular interaction energies from the crystal structures [ .cif format]. Details for doing that is expected.

05 May 2017 3,541 0 View