GUI for VASP

VASP calculations with Virtual NanoLab

In QuantumWise we know that VASP is a popular code among our fellow researchers. That's why we made Virtual NanoLab compatible with VASP and created the VASP Scripter. The VASP scripter allows you to set up VASP calculations much faster and easier by reducing the time you would use on writing code.

You also get a great atomic 3D-builder, an extensive database, and handy tools for analyzing and visualizing results.

If you do NEB calculations with VASP you can even speed up the calculation process radically by using Virtual NanoLab.

As you can read below, Virtual NanoLab can handle most VASP file formats and the VASP Scripter allows for generating VASP input scripts.

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What users love about Virtual NanoLab

Build structures easily

 A 3D Builder

Build

  • Nanotubes
  • Nanosheets
  • Nanoribbons
  • Molecules
  • Interfaces
  • Polycrystals
  • Crystals by Symmetry
  • Cleave surfaces

Database

  • Import the crystal structure you need
  • Fullerenes
  • Molecules

Examples

Set up VASP calculations using the VASP Scripter

 

Create and export

  • INCAR
  • KPOINTS
  • POSCAR
  • POTCAR

Set up

  • Geometry optimizations
  • DOS
  • Band structures
  • Molecular dynamics
  • NEB runs

Examples 

Analyze and view results

Results  

Dynamical analysis of data

  • Organized view of files
  • Movie tool for NEB trajectories
  • Electronic structure
  • Charge Density Plots
  • Grid operations
  • Effective potentials
  • Band structure analyzer
  • Density of states
  • Isosurfaces and plane projected plots
  • Charge density 1D projections
 

Read and plot VASP files

  • CHGCAR
  • PARCHG
  • ELFCAR
  • LOGPOT
  • EIGENVAL
  • DOSCAR

Analyze VASP result files

 

Try it, love it!

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You can download Virtual NanoLab for testing.

Ready to buy

To use the VASP Scripter in Virtual NanoLab you need to purchase a license. 
This license does not include any capabilities for running DFT or semi-empirical electronic structure calculations using Atomistix ToolKit (ATK).

Please contact us through our contact form and we will get back to you as soon as we can. Usually within 24 hours.