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total energy

Posted: Fri May 08, 2015 7:17 am
by samaneh
Dear Developers,

I think yambo can not calculate the total energy
is that possible to calculate it using the qp energies?
if yes would you please explaine how?

Best regards
Samaneh, university of Tehran, Iran

Re: total energy

Posted: Fri May 08, 2015 8:11 am
by Daniele Varsano
Dear Samaneh,
It is not possible to calculate total energy from the qp energies (which are the energy to add/remove and electron to/from the system).
It is possible to calculate total energy in Many Body formalism using the Galitskii-Migdal formula, you can find it in textbook.
Anyway, this feature it is not available in Yambo.
Best,
Daniele