II.
LibrarySkill overview
Reference · livelib-skill:physics--vasp-dft-calculator
vasp-dft-calculator overview
VASP DFT calculation skill for electronic structure, band structures, and materials property predictions
Attributes
displayName
vasp-dft-calculator
description
VASP DFT calculation skill for electronic structure, band structures, and materials property predictions
libraryPath
library/specializations/domains/science/physics/skills/vasp-dft-calculator/SKILL.md
specialization
physics
contentSummary
# VASP DFT Calculator Skill
## Purpose
Provide comprehensive integration with VASP for density functional theory calculations, electronic structure analysis, and materials property predictions.
## Capabilities
- INCAR/POSCAR/POTCAR generation
- k-point mesh optimization
- Self-consistent f
Outgoing edges
lib_applies_to_domain1
- domain:physics·DomainPhysics
lib_belongs_to_specialization1
- specialization:physics·SpecializationPhysics
lib_implements_workflow2
- workflow:experiment-design·WorkflowExperiment Design
- workflow:peer-review-cycle·WorkflowPeer Review Cycle
lib_involves_role2
- role:computational-scientist·RoleComputational Scientist
- role:research-engineer·RoleResearch Engineer
lib_requires_skill_area3
- skill-area:physics-simulation·SkillAreaPhysics Simulation
- skill-area:mathematical-reasoning·SkillAreaMathematical Reasoning
- skill-area:statistical-analysis·SkillAreaStatistical Analysis
Incoming edges
None.