LK-99_ab_initio_studies
收藏官方服务：
资源简介：
The files contain raw data associated with manuscript "Pb-apatite Framework as a Generator of Novel Flat-band CuO Based Physics" (submitted to MDPI Crystals, November 2025).Results are also presented in the preparint available in arXiv: https://doi.org/10.48550/arXiv.2308.00698 Each folder corresponds to different electronic structure calculations. We attach VASP output files necessary to generate bands (band.dat, band_up.dat, band_dn.dat), density of states (DOSCAR.dat), and orbital projections (PROCAR.dat).Further data and analyses are available on reasonable request.Uploaded by Rafal Kurleto, e-mail: rafal.kurleto@uj.edu.pl
提供机构：
Zenodo创建时间：
2025-11-26
