[Pw_forum] Comparison of total energies

Chukwuemeka Okoye cmi.okoye at unn.edu.ng
Tue Jul 4 19:29:17 CEST 2017

Dear All,

I am using Quantum Espresso to perform calculations on quaternary Heusler
compounds. My question is, can I compare the total energies of different
types of atom arrangement in other to determine the most stable
configuration(correct ground state) between Type-I, Type-II and Type-III?

CMI Okoye

*------------------------------Chukwuemeka M I Okoye*

*Department of Physics and Astronomy,*

*University of Nigeria, *

*Nsukka, Enugu State,*
Telephone: +234 7038766990
E-mail: cmi.okoye at unn.edu.ng
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