[Pw_forum] Question about electron (pseudo-)charge density calculations in QE
rezavatan64 at gmail.com
Fri May 27 19:35:02 CEST 2016
Dear Mostafa and Stfano,
Thanks for your reply. It was a big mistake using a wrong Pseudo. Now the
problem is solved.
Another question: what's the unit of electrostatic potential energy that
pp.x calculate? If I multiply the outputs by 13.6, the numbers would be in
On Thu, May 26, 2016 at 1:31 PM, Mostafa Youssef <myoussef at mit.edu> wrote:
> Dear Reza,
> If hydrogen can transform to Silicon than Quantum Espresso is an all
> Nucleon code that simulates Fusion :-)
> Check your Pseudo !
> Pw_forum mailing list
> Pw_forum at pwscf.org
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