Research data supporting: "Electronic Consequences of the Formation of Local Tilting in Halide Perovskites"
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-Input files INCAR contains simulation settings POSCAR defines initial cell vectors of a unit cell and position of atoms in it POTCAR contains pseudo potentials of elements specified in POSCAR KPOINTS specifies the k-point mesh of Brillouin zone integration
-Output files CONTCAR contains optimised atomic structure after relaxation DOSCAR contains density of states (DOS) profiles
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VASP (Vienna Ab initio Simulation Package) https://www.vasp.at
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Except where otherwised noted, this item's license is described as https://creativecommons.org/licenses/by/4.0/
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Horizon Europe UKRI Underwrite MSCA (EP/Y024648/1)