Data for: MnAl(C) alloys, ferromagnetic phase, Mechanical alloying, ab initio calculation

Published: 08-05-2018| Version 1 | DOI: 10.17632/29xrncdpvd.1
Nirina Randrianantoandro,
Van Tang NGUYEN,
Anna Bajorek,
Florent Calvayrac


Those are input and output files of the simulation data on the position of C in the tetragonal structure of MnAl performed by Quantum Expresso (QE) package (Quantum-opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization, which contains the core package Plane-Wave Self-Consistent Field (PWscf program)