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 https://vaspkit.com.

Project Samples

Project Activity

See All Activity >

Categories

Physics

License

Academic Free License (AFL)

Follow vaspkit

vaspkit Web Site

Other Useful Business Software
Get Advanced Threat Protection for Your Azure Workloads Icon
Get Advanced Threat Protection for Your Azure Workloads

FortiGate NGFW on Azure Enables You to Protect Your Workloads Beyond Basic Azure Security Services

FortiGate NGFW identifies and stops advanced threats with powerful application control, malware protection, web filtering, antivirus, and IPS technology. As the attack surface expands, FortiGate provides integrated and automated protection against emerging and sophisticated threats while securing hybrid or multi-cloud environments. Deploy today in Azure Marketplace.
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of vaspkit!

Additional Project Details

Operating Systems

Linux

Languages

English

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

Fortran

Related Categories

Fortran Physics Software

Registered

2013-11-13