II.
LibrarySkill overview
Reference · livelib-skill:physics--quantum-espresso-runner
quantum-espresso-runner overview
Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation
Attributes
displayName
quantum-espresso-runner
description
Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation
libraryPath
library/specializations/domains/science/physics/skills/quantum-espresso-runner/SKILL.md
specialization
physics
contentSummary
# Quantum ESPRESSO Runner
## Purpose
Provides expert guidance on Quantum ESPRESSO DFT calculations, including input file management, pseudopotential selection, and advanced property calculations.
## Capabilities
- Input file generation (pw.x, ph.x, pp.x)
- Pseudopotential library manage
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.