Dear PWSCF users,
I am new to Quantum Espresso and any kind of help from your end will be
highly appreciated.
I was trying to compute the planner average charge density difference to
realize the charge transfer prospect. As a standard procedure,
1. I have calculated the charge densities for complex
Dear Amrit Sarmah
Can you elaborate your systems a bit more? It would be better if you can
provide your input files for the complex and monomers.
Thanks
Regards
Manjusha Chugh
Research Scholar
Chemistry, IIT Kanpur
On Thu, Sep 21, 2017 at 12:25 PM, Amrit Sarmah
wrote:
> Dear PWSCF users,
> I
