abacus-input-parameter

What problem does it solve?

It solves the problem of not knowing which ABACUS INPUT parameters to set, how they relate to each other, and what they control when preparing or troubleshooting ABACUS calculations.

Core Features & Use Cases

• Parameter discovery by category: Browse system variables, input file paths, plane-wave settings, LCAO settings, electronic structure controls, relaxation, MD, output, and many advanced modules like PEXSI, OFDFT, TDDFT, and vdW corrections.
• Practical references with examples: Each parameter is documented with type, defaults, options, and concise guidance, plus quick example snippets for common workflows (SCF, relax, MD, hybrid, SOC, DFT+U, Wannier90 interface, etc.).
• Focused troubleshooting support: Use the category links to verify parameter intent and required companion files (e.g., orbitals for certain projections) or to cross-check output/restart/restart-loading behaviors.

Quick Start

Indently ask the assistant: “Summarize the key parameters and a minimal example INPUT block for a plane-wave SCF run including k-point control and SCF convergence thresholds.”