[Pw_forum] electronic excitation energy

[Stefano Baroni]

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
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> any suggetions  how it can be included in the total energy
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> sahoo b
> mumbai reserch scholar
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