5. Usage of applications

Contents:

• 5.1. Applications
• 5.2. Gaussian
• 5.3. GaussView 6
• 5.4. AVS/Express Developer
• 5.5. Materials Studio
  • 5.5.1. SSH port forwarding to the license server and gateway server.
  • 5.5.2. How to set Gateway
  • 5.5.3. How to execute
  • 5.5.4. How to execute CASTEP
  • 5.5.5. How to execute DMol3
  • 5.5.6. How to execute DFTB+
  • 5.5.7. How to execute FlexTS
  • 5.5.8. Confirming Job Status
  • 5.5.9. Canceling Job
• 5.6. CRYSTAL17
• 5.7. VASP 5
• 5.8. VASP 6
• 5.9. WIEN2k
• 5.10. SIESTA
• 5.11. ABINIT
• 5.12. CPMD
• 5.13. QUANTUM ESPRESSO
• 5.14. LAMMPS
• 5.15. XCrySDen
• 5.16. Keras
• 5.17. TensorFlow
• 5.18. PyTorch
• 5.19. Japanese-compatible TeX