Is VASP software free?

VASP is not free software and requires a software license.

How do I get a VASP license?

VASP can only be acquired legally in two ways:

1. Purchase a license directly from the VASP Software GmbH (send an email to [email protected]).
2. Purchase a license from Materials Design Inc. or their official resellers.

What is VASP code?

The Vienna Ab initio Simulation Package, better known as VASP, is a package for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set.

What is VASP DFT?

VASP computes an approximate solution to the many-body Schrödinger equation, either within density functional theory (DFT), solving the Kohn-Sham equations, or within the Hartree-Fock (HF) approximation, solving the Roothaan equations. …

What is the difference between quantum espresso and VASP?

VASP is a commercial code and Quantum-Espresso (QE) is an open source code. Both have their own issues: For calculations of vibrational properties, QE contains implementations of DFPT (Density Functional Perturbations Theory), whereas VASP uses another third party software.

When was VASP created?

4 November 1933
The airline was established on 4 November 1933 by the state government of São Paulo and started operations on 12 November 1933. VASP was the first airline to serve the interior of the state of São Paulo (São Paulo-São Carlos-São José do Rio Preto and São Paulo-Ribeirão Preto-Uberaba), with two Monospar ST-4.

How do you reference VASP?

Please remember to cite the following references when publishing results obtained with VASP:

1. Kresse and J. Hafner. Ab initio molecular dynamics for liquid metals.
2. Kresse and J. Hafner.
3. Kresse and J. Furthmüller.
4. Kresse and J. Furthmüller.

What is difference between VASP and Gaussian?

Gaussian is the main quantum chemistry DFT code, so it probably is about equivalent to VASP, but with a local basis instead of a planewave one. This means you have to make decisions about the basis functions and you may have a harder time with solids. Gaussian also costs money.

What is Paw potential?

The projector augmented wave method (PAW) is a technique used in ab initio electronic structure calculations. It is a generalization of the pseudopotential and linear augmented-plane-wave methods, and allows for density functional theory calculations to be performed with greater computational efficiency.

Which is better quantum espresso or VASP?

VASP usually does things at a faster rate than QE, abinit etc., and implementation is done at a faster rate in VASP than QE. However, much work has been done on QE in the last few years, such as adding GPU support and mixed OpenMP/MPI parallelism with good parallel scalability.

What is CP2K package?

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

What is plane-wave DFT?

The pseudopotential plane-wave (PSPW) method is a fast and efficient way to calculate molecular properties using density functional theory (DFT) 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14. The pseudopotentials are chosen such that the resulting pseudoatoms have the same scattering properties as the original atoms.