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The VASP Manual

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Revision as of 07:15, 26 November 2021 by Miranda.henrique (talk | contribs)
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Getting started

VASP6 Features that will only be available in VASP.6.X.
How to Install VASP First install VASP.
Workshops The collection of workshops is a good place for the introduction to the basics of VASP.
Lectures The collection of lectures is a good place to start as well.
Tutorials and Examples The collection of tutorials and examples is a good place to learn the usage of VASP.

Input and Output

INCAR tags All INCAR tags at a glance.
Input Files
Output Files

Featured topics

Category subtopics (amongst others)
PP and PAW Theory, available potentials.
Electronic Minimization Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
XC Functionals LDA, GGA, metaGGA, HF/DFT hybrid functionals, vdW functionals.
Structural Optimization Ionic mimimization methods.
Molecular Dynamics Barostats, thermostats, ensembles, different MD methods.
Lattice Vibrations Phonons, electron-phonon interactions.
Dielectric Properties Static and frequency dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray).
Linear Response Static dielectric properties, phonons form linear response.
NMR Chemical shifts, electric field gradients.
Many-Body Perturbation Theory ACFDT, BSE, GW, MP2, CRPA.
Magnetism Spin-orbit coupling, non-collinear magnetism.
Defects Dipole corrections for defects in solids.
Atoms and Molecules Monopole, dipole, and quadrupole corrections.
Transition States Elastic band method, improved dimer method.
Wannier Functions Obtaining Wannier functions.
Common Pitfalls Most important parameters, typical sources of errors.
Theoretical Background DFT, PAW, vdW, spectroscopy, MD.
VASP.6 / VASP6 Features that will only be available in VASP.6.X.


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