Technical University of Denmark
2 files

Enhancing Oxygen Evolution Reaction Activity by Using Switchable Polarization in Ferroelectric InSnO2N

posted on 2021-09-28, 06:41 authored by Zhenyun LanZhenyun Lan
The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online The related calculated total energy and input set parameters could be seen in the OUTCAR files.
And the band structure pdos can be obtained from vasprun by p4vasp