Checkpoint inputs for the execution of the NOMAD mini-apps suite. Calculation of ZrO2 crystal with the G0W0 implementations of exciting and Abinit, and FHI-aims, and hcp-Si test case for FHI-aims code
This data set contains the main input and output files of the calculations performed for the article: "First Principles Study on the Structural and Magnetic Properties of Low-Index Cu2O and CuO Surfac
# README ## Project Overview This project contains WIEN2k output files generated for **CuO** and various **supercells** with different doping levels. Calculations use either **TB-mBJ** potential or
