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
Build Securely on Azure with Proven Frameworks
Moving to the cloud brings new challenges. How can you manage a larger attack surface while ensuring great network performance? Turn to Fortinet’s Tested Reference Architectures, blueprints for designing and securing cloud environments built by cybersecurity experts. Learn more and explore use cases in this white paper.
Rate This Project
Login To Rate This Project
User Reviews
-
Useful and helpful