ASAP Workflows

Quick access:

• Overview of ASAP Workflows
• Single-point calculation
• Molecular Dynamics
• Geometry Optimisation
• Equation Of State (EOS)
• Nudged Elastic Band (NEB)
• Phonons
• Vibrations
• Optical response
• Interaction energy
• Interfacial energy tool (IET)
• Convergence Tools: mesh cutoff
• Convergence Tools: Brillouin Zone sampling
• Local density of states (LDOS)
• Transport