# Methodology

- [Materials Methodology](https://docs.materialsproject.org/methodology/materials-methodology.md): Overview of methodology for materials-related calculations and analyses on the Materials Project (MP).
- [Overview](https://docs.materialsproject.org/methodology/materials-methodology/overview.md): An overview of materials methodology.
- [Calculation Details](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details.md): Details of calculation parameters for the density functional theory (DFT) calculation results contained in the Materials Project (MP) database.
- [GGA/GGA+U Calculations](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations.md): Details on GGA and GGA+U calculations run by the Materials Project
- [Parameters and Convergence](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations/parameters-and-convergence.md): Parameter and convergence details for GGA and GGA+U calculations run by the Materials Project
- [Hubbard U Values](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations/hubbard-u-values.md): Details on Hubbard U corrections used by the Materials Project
- [Pseudo-potentials](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/gga+u-calculations/pseudopotentials.md): Description of the pseudo-potentials (PSP) used in the GGA and GGA+U calculations.
- [r2SCAN Calculations](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/r2scan-calculations.md): Details on r2SCAN calculations run by the Materials Project
- [Parameters and Convergence](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/r2scan-calculations/parameters-and-convergence.md): Parameter and convergence details for r2SCAN calculations run by the Materials Project
- [Pseudopotentials](https://docs.materialsproject.org/methodology/materials-methodology/calculation-details/r2scan-calculations/pseudopotentials.md): Description of the pseudopotentials used in the r2SCAN related calculations.
- [Thermodynamic Stability](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability.md)
- [Energy Corrections](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability.md): How energy adjustments and corrections are calculated on the Materials Project (MP) website.
- [Anion and GGA/GGA+U Mixing](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability/anion-and-gga-gga+u-mixing.md): Details on anion and GGA/GGA+U mixing scheme corrections
- [GGA/GGA+U/r2SCAN Mixing](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability/gga-gga+u-r2scan-mixing.md): Details on the GGA/GGA+U/r2SCAN mixing scheme corrections
- [Adding Energy Corrections to Custom Entries](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/thermodynamic-stability/adding-energy-corrections-to-custom-entries.md)
- [Phase Diagrams (PDs)](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/phase-diagrams-pds.md): A description of the methodology for constructing and interpreting compositional phase diagrams from the Materials Project (MP) website and API.
- [Chemical Potential Diagrams (CPDs)](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/chemical-potential-diagrams-cpds.md): Overview of how chemical potential diagrams (CPDs) are constructed and visualized. These are available as part of the Phase Diagram App.
- [Finite Temperature Estimation](https://docs.materialsproject.org/methodology/materials-methodology/thermodynamic-stability/finite-temperature-estimation.md): Description of the methodology used to estimate Gibbs free energies of formation at finite (T>0 K) temperature. This is an option available within the Phase Diagram App.
- [Electronic Structure](https://docs.materialsproject.org/methodology/materials-methodology/electronic-structure.md): How electronic band structures and density of states are calculated on the Materials Project (MP) website.
- [Phonon Dispersion](https://docs.materialsproject.org/methodology/materials-methodology/phonon-dispersion.md): How phonon dispersion and phonon band structures are calculated/visualized on the Materials Project (MP) website.
- [Diffraction Patterns](https://docs.materialsproject.org/methodology/materials-methodology/diffraction-patterns.md): How diffraction patterns are calculated on the Materials Project (MP) website.
- [Aqueous Stability (Pourbaix)](https://docs.materialsproject.org/methodology/materials-methodology/aqueous-stability-pourbaix.md): How aqueous stability (Pourbaix) diagrams are calculated and plotted on the Materials Project (MP) website.
- [Magnetic Properties](https://docs.materialsproject.org/methodology/materials-methodology/magnetic-properties.md): How magnetic properties are calculated on the Materials Project (MP) website.
- [Elastic Constants](https://docs.materialsproject.org/methodology/materials-methodology/elasticity.md): How elastic constants are calculated on the Materials Project (MP) website.
- [Piezoelectric Constants](https://docs.materialsproject.org/methodology/materials-methodology/piezoelectric-constants.md): How piezoelectric constants are calculated for the Materials Project (MP) website.
- [Dielectric Constants](https://docs.materialsproject.org/methodology/materials-methodology/dielectricity.md): How dielectric constants are calculated on the Materials Project (MP) website.
- [Equations of State (EOS)](https://docs.materialsproject.org/methodology/materials-methodology/equations-of-state.md): How equations of state (EOS) are calculated on the Materials Project (MP) website.
- [X-ray Absorption Spectra (XAS)](https://docs.materialsproject.org/methodology/materials-methodology/x-ray-absorption-spectra.md): How x-ray absorption spectra are calculated on the Materials Project (MP) website.
- [Surface Energies](https://docs.materialsproject.org/methodology/materials-methodology/surface-energies.md)
- [Grain Boundaries](https://docs.materialsproject.org/methodology/materials-methodology/grain-boundaries.md): How grain boundaries are calculated on the Materials Project (MP) website.
- [Charge Density](https://docs.materialsproject.org/methodology/materials-methodology/charge-density.md): Obtaining the charge density shown on the Materials Project (MP) website.
- [Suggested Substrates](https://docs.materialsproject.org/methodology/materials-methodology/suggested-substrates.md): How suggested substrates are calculated on the Materials Project (MP) website.
- [Related Materials](https://docs.materialsproject.org/methodology/materials-methodology/related-materials.md): How related materials are identified on the Materials Project (MP) website.
- [Optical absorption spectra](https://docs.materialsproject.org/methodology/materials-methodology/optical-absorption-spectra.md): How optical absorption spectra are calculated on the Materials Project (MP) website.
- [Alloys](https://docs.materialsproject.org/methodology/materials-methodology/alloys.md): How alloy data is calculated on the Materials Project (MP) website.
- [Understanding Structures and Properties in the Materials Project](https://docs.materialsproject.org/methodology/materials-methodology/understanding-structures-and-properties-in-the-materials-project.md)
- [Molecules Methodology](https://docs.materialsproject.org/methodology/molecules-methodology.md): Overview of methodology for molecules-related calculations and analyses on the Materials Project (MP).
- [Overview](https://docs.materialsproject.org/methodology/molecules-methodology/overview.md): An overview of the molecules methodology
- [Calculation Details](https://docs.materialsproject.org/methodology/molecules-methodology/calculation-details.md): Details of parameters for molecular DFT calculations contained in the Materials Project for molecules (MPcules) database.
- [Atomic Partial Charges](https://docs.materialsproject.org/methodology/molecules-methodology/atomic-partial-charges.md): How partial charges are determined in MPcules
- [Atomic Partial Spins](https://docs.materialsproject.org/methodology/molecules-methodology/atomic-partial-spins.md): How partial spins for open-shell molecules are determined in MPcules
- [Bonding](https://docs.materialsproject.org/methodology/molecules-methodology/bonding.md): How chemical bonds are determined in MPcules
- [Metal Coordination and Binding](https://docs.materialsproject.org/methodology/molecules-methodology/metal-coordination-and-binding.md): How coordination properties of metals (e.g. binding energies) are determined in MPcules
- [Natural Atomic and Molecular Orbitals](https://docs.materialsproject.org/methodology/molecules-methodology/natural-atomic-and-molecular-orbitals.md): How MPcules collects data from natural bonding orbital (NBO) analysis
- [Redox and Electrochemical Properties](https://docs.materialsproject.org/methodology/molecules-methodology/redox-and-electrochemical-properties.md): How properties related to charge transfer are determined in MPcules
- [Molecular Thermodynamics](https://docs.materialsproject.org/methodology/molecules-methodology/molecular-thermodynamics.md): How MPcules calculate the thermochemical properties of molecules
- [Vibrational Properties](https://docs.materialsproject.org/methodology/molecules-methodology/vibrational-properties.md): How molecular vibrational properties are determined in MPcules
- [Legacy Data](https://docs.materialsproject.org/methodology/molecules-methodology/legacy-data.md): Describing the data present in the original Molecule Explorer
- [MOF Methodology](https://docs.materialsproject.org/methodology/mof-methodology.md): Overview of methodology for metal-organic framework (MOF)-related calculations and analyses on the Materials Project (MP).
- [Calculation Parameters](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters.md): What VASP settings were used?
- [DFT Parameters](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/dft-parameters.md): Description of the density functional theory (DFT) parameters used in MOF calculation results displayed on the Materials Project (MP) website.
- [Density Functionals](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/density-functionals.md): Description of the density functional theory (DFT) functionals and level of theory used in MOF calculation results displayed on the Materials Project (MP) website.
- [Pseudopotentials](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/psuedopotentials.md)
- [DFT Workflow](https://docs.materialsproject.org/methodology/mof-methodology/calculation-parameters/dft-workflow.md): How to run a density functional theory (DFT) workflow for calculating / optimizing MOFs.


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