Zr_Doped_HfO2_DEN_WFK

This dataset contains density functional theory (DFT) simulation outputs
for Zr-doped ferroelectric HfO2, computed using the ABINIT package.

The dataset includes:
– Wavefunction files (WFK.nc)
– Charge density files (DEN.nc)
– Outputs corresponding to polarization states and structural configurations

These data support the study of ferroelectric phase stability,
polarization behavior, and electronic structure in doped HfO2 systems.

Input files, analysis scripts, and workflows are available on GitHub:
https://github.com/curious-turtle-lab/Doped-HfO2

This dataset is intended for reproducibility and reuse in computational
materials science studies.