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VASP - Vienna Ab initio Simulation Package

The Vienna Ab initio Simulation Package: atomic scale materials modelling from first principles. Read more

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https://www.vasp.at/wiki/index.php/The_VASP_Manual

The VASP Manual

Requests for technical support from the VASP team should be posted in the VASP Forum.

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https://www.vasp.at/info/about/

About - VASP Wiki

About What is 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 computes an approximate solution to the many-body Schrödinger equation, either within density functional theory (DFT), solving the Kohn-Sham equations, or ...

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https://www.vasp.at/wiki/index.php/Welcome

Welcome - VASP Wiki

Analyze VASP output The output files written by VASP depends on the kind of calculation you are running. py4vasp is the most seamless tool to extract data from VASP calculations. It is a Python package developed by VASP developers and helps to get a quick look at data, as well as parse it to other common formats.

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https://www.vasp.at/tutorials/latest/

Tutorials - VASP Wiki

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.

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https://www.vasp.at/learn/

Learn - VASP Wiki

Tutorials New to VASP? With our detailed tutorials you can learn to run your VASP calculations

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https://www.vasp.at/tutorials/latest/molecules/par…

Part 1: Introduction to VASP

VASP looks in the current directory for four main input files, i.e., POSCAR, INCAR, KPOINTS and POTCAR. The general format of each input file is explained in details in the linked articles that lead to the VASP Wiki, but below we will discuss the particular choices for this example.

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Info

About What is VASP and what can I do with it? Get a brief overview of the method and a list of the features

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https://www.vasp.at/wiki/index.php/Category:Theory

Category:Theory - VASP Wiki

VASP computes an approximate solution to the many-body Schrödinger equation to obtain the electronic ground state. This can either be done within density-functional theory (DFT) by solving the Kohn-Sham (KS) equations, or within the Hartree-Fock (HF) approximation by solving the Roothaan equations.

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https://www.vasp.at/wiki/index.php/Installing_VASP…

Installing VASP.6.X.X - VASP Wiki

Step 1: Download Download the source code of VASP from the VASP Portal, copy it to the desired location on your machine, and unzip the file to obtain the folder /path/to/vasp.x.x.x and reveal its content. Step 2: Prepare makefile.include Create a makefile.include starting from a template in /path/to/vasp.x.x.x/arch that resembles your system: