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vaspkit Free Download for Windows & Mac

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vaspkit Free Download for Windows & Mac

Published Date: 2024-04-13

vaspkit Free Download

VASPkit is a user-friendly graphical user interface (GUI) for the Vienna Ab initio Simulation Package (VASP). VASPkit facilitates the setup, execution, and analysis of VASP calculations, making it accessible to researchers across various disciplines. With its intuitive interface, researchers can easily define calculation parameters, visualize input and output files, and generate reports, significantly streamlining the computational materials science workflow.

VASPkit is compatible with Windows and Mac operating systems, offering a convenient and cross-platform experience for users. It also provides a comprehensive suite of tools for manipulating atomic structures, setting up periodic boundary conditions, and analyzing results. Additionally, VASPkit offers advanced features such as job scheduling and batch processing, allowing researchers to optimize their computational resources and maximize productivity. Overall, VASPkit is a powerful and versatile tool that empowers researchers to harness the capabilities of VASP for materials science simulations.

vaspkit : Basic features: 1. Generate KPOINTS, POTCAR and INCAR for a given POSCAR file; 2. Elastic-constants using stress-strain or energy-strain methods; 3. Equation-of-state fitting; 4. Suggested k-paths for a given crystal structure; 5. Optical adsorption coefficient; 6. Band structure unfolding; 7. Fermi surface; 8. Density-of-states and band-structure; 9. Charge/spin density, Charge density difference; 10. Vacuum level and work function; 11. Wave-function analysis; 12. Molecular-dynamics analysis; 13. Effective mass of carrier; 14. Symmetry finding and operations; 15. 3D band structures; More details can be found in its official website