Hey all!
I am using gaussian16 program package (not the GUI i.e. gauss-view). I want to plot charge density for a metal cluster but for doing this .cube file is required. Does anyone have any idea how to create .cube file when i am not using Gauss-view. If yes please suggest some method. Your answers would be greatly appreciated.
Thank you.
Dear Megha,
Are you using the gaussian program on the linux server or window?
The general procedure, to generate the cube file is as follow:
(1) First convert the .chk file into .fchk. To know how to generate .fchk, you can go through the below link
http://gaussian.com/formchk/
(2) Now convert the .fchk file into .cube file. Below is the link
http://gaussian.com/cubegen/
Hello Ravi!
Thank you for your answer. I will try the procedure suggested by you. By the way I am using gaussian program on the linux server.
Example with commands is given here:
http://www.somewhereville.com/2014/06/07/generating-molecular-orbitals-and-visualizing-assorted-properties-with-the-gaussian09-cubegen-utility/
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