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? Thanks.
CMI Okoye *------------------------------Chukwuemeka M I Okoye* *Department of Physics and Astronomy,* *University of Nigeria, * *Nsukka, Enugu State,* *Nigeria* Telephone: +234 7038766990 E-mail: cmi.ok...@unn.edu.ng
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
