Would please define (with a formula or a reference to a published book/paper)
the three terms, particularly the first two? ("static" and "electronic") - SB
--
Stefano Baroni, Trieste -- swift message written and sent on the go
On 20/giu/2012, at 20:18, bhabya sahoo <bdslipun at gmail.com> wrote:
> As we know that the total energy is the sum of static energy, electronic
> energy, and vibrational energy the first energy is the out put of scf file in
> quantum espresso and the second one is the output of QHA code but how the
> electronic energy is calculated from first principle
>
>
> any suggetions how it can be included in the total energy
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
>
> sahoo b
> mumbai reserch scholar
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
