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
total energy
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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samaneh
- Posts: 165
- Joined: Tue Jan 21, 2014 9:03 am
total energy
S. Ataei, PhD student at University of Tehran, Iran.
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Daniele Varsano
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Re: total energy
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/