InSnO2N_data.zip (108.06 MB)
Download fileDynamic Strain and Switchable Polarization: a Pathway to Enhance the Oxygen Evolution Reaction on InSnO2N
dataset
posted on 2023-08-09, 10:33 authored by Chiara Spezzati, Zhenyun LanZhenyun Lan, Ivano Eligio CastelliIvano Eligio Castelli
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 https://jp-minerals.org/vesta/en/. 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