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The Vienna Ab initio Simulation Package: atomic scale materials modelling from first principles. Read more.
The Vienna Ab initio Simulation Package, better known as VASP, is a package written primarily in Fortran for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set.
Band structure, density of states, partial DOS and on-site charge and magnetization ( LORBIT ), electrostatics, charge density, potential, etc. Spin degree of freedom. Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc. Exchange-correlation functionals.
The VASP Wiki is the user manual for VASP. Also, check out the documentation of py4vasp. Meet the VASP Community in the VASP Forum! Here, you can ask questions to other users and get technical support from the VASP Team.
Welcome to the official channel of the Vienna Ab initio Simulation Package. Here, you will find lectures, tutorials, and teasers about upcoming releases. vasp.at and 2 more links.
Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research of Catalonia (ICIQ) during September 2021. Topics
Sep 13, 2015 · VASP 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.
VASP Wiki. The user manual of VASP. Documentation of input and output. Advice on compiling the code
In this tutorial, Dr Sherif Abbas of RMIT will introduce you to VASP, one of the most famous software programmes for performing Density Functional Theory (DFT) calculations. It's particularly famous for its versatility and accuracy in dealing with crystal systems.
May 2, 2021 · In this tutorial, Dr Sherif Abbas of RMIT will introduce you to VASP, one of the most famous software programmes for performing Density Functional Theory (DFT) calculations.
