Computational Data for "Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study"
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Description
This repository contains the data from the computational work done in the paper. The data provide enough information to reproduce the results shown in the paper.
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The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.
Taken from: https://www.vasp.at/index.php/about-vasp/59-about-vasp
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DFT, MD, VASP
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