Page 1 of 1

formation energy

Posted: Sun Nov 23, 2014 10:23 am
by samaneh
Dear Developers,
Can we calculate formation energy or total energy
with yambo??
Best
S. Ataei, University of Tehran, Iran

Re: formation energy

Posted: Sun Nov 23, 2014 10:45 am
by Daniele Varsano
Dear Samanah,
total energy using adiabatic-connection fluctuation-dissipation theorem, is a feature of the code, but it is not yet in the gpl version of the code. Hopefully it will be added in the next release.

Best,
Daniele