Regarding CoFFEE package for vasp calculations

52 views
Skip to first unread message

Muthukrishnan

unread,
May 18, 2022, 9:49:19 AM5/18/22
to CoFFEE code forum
Dear Experts,
            Greetings!. This is Muthu from Anna University, India. I hope that you are doing well. I want to calculate the correction parameters from the CoFFEE package for my vasp calculations. In CoFFEE Package, in the example directory, it has given the input files for Quantum Espresso code only, for example in gaussian fit, it mentioned that file name = wfn.cube, file type = cube. I don't know what files I have to use here for vasp calculations. Shall I include my WAVECAR file in this case?. If so, I am unable to convert the vasp WAVECAR file ino the cube format.
Please kindly give the instructions to run CoFFEE packages for vasp calculation.
Thank you

Best regards
Muthu.
Reply all
Reply to author
Forward
0 new messages