static
OfficialGenerate VASP static SCF inputs.
Authorjinzhezenggroup
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Prepares VASP static SCF inputs from a user-provided structure and essential DFT settings, enabling quick setup of single-point electronic structure and total-energy calculations.
Core Features & Use Cases
- Generate INCAR with user-specified ENCUT, ISMEAR/SIGMA, EDIFF, NELM, and other key parameters.
- Create KPOINTS via KSPACING by default or provide an explicit mesh on request.
- Assemble POTCAR mappings for all elements in the structure and provide management instructions for potential pseudopotential sources.
- Use case: A researcher needs a ready-to-run static calculation without submitting jobs, starting from a structure input.
Quick Start
Prepare a VASP static input set for the provided structure, including INCAR generation, optional KPOINTS, POSCAR, and POTCAR mapping instructions.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
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Please help me install this Skill: Name: static Download link: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/archive/main.zip#static Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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