VASP input files for calculations in paper "Extreme tensile strain states in La0.7Ca0.3MnO3 membranes"
The Vienna Ab-initio Simulation Package (VASP) is proprietary software available for purchase at https://www.vasp.at/. Data processing scripts written to process output files and create figures are available upon request. The simulation output files are available upon reasonable request. They are not publicly available due to very large file sizes. Parameters of the input files are described in the computational methods.
File description: CONTCAR(s): Fully optimized structures in the A-AFM and FM phases. INCAR_*_relax: INCAR for structure optimizations. INCAR_*_static: INCAR for DOS calculations. POSCAR_*_0: Structures at the "0" strain state in A-AFM and FM phases. POSCAR_*_DOS: Structures used to calculate the electronic DOS in the paper.