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.
Categories
PhysicsLicense
Academic Free License (AFL)Follow VASPKIT
Other Useful Business Software
Vibes don’t ship, Retool does
Vibe coding tools create cool demos, but Retool helps you build software your company can actually use. Generate internal apps that connect directly to your data—deployed in your cloud with enterprise security from day one. Build dashboards, admin panels, and workflows with granular permissions already in place. Stop prototyping and ship on a platform that actually passes security review.
Rate This Project
Login To Rate This Project
User Reviews
-
Useful and helpful