Showing 1 open source project for "vaspkit"

View related business solutions
  • $300 in Free Credit Towards Top Cloud Services Icon
    $300 in Free Credit Towards Top Cloud Services

    Build VMs, containers, AI, databases, storage—all in one place.

    Start your project in minutes. After credits run out, 20+ products include free monthly usage. Only pay when you're ready to scale.
    Get Started
  • AI-powered service management for IT and enterprise teams Icon
    AI-powered service management for IT and enterprise teams

    Enterprise-grade ITSM, for every business

    Give your IT, operations, and business teams the ability to deliver exceptional services—without the complexity. Maximize operational efficiency with refreshingly simple, AI-powered Freshservice.
    Try it Free
  • 1
    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...
    Leader badge
    Downloads: 581 This Week
    Last Update:
    See Project
  • Previous
  • You're on page 1
  • Next
MongoDB Logo MongoDB