Agent skill

Cohp Analysis

A skill your agent uses when the user asks about COHP (Crystal Orbital Hamilton Population), chemical bonding analysis, LOBSTER output, orbital-resolved bonding, or bonding/antibonding character…

AGPL-3.0Auto-check passed

Install Cohp Analysis

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG cohp-analysis --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .claude/skills && cp -r skills-src/.claude/skills/cohp .claude/skills/cohp-analysis && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Paste into Claude Code

Install the "cohp-analysis" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp into .claude/skills/cohp-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "cohp-analysis", then confirm the skill loads.

Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

$skill-installer

$skill-installer install https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp

Type this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a codex

Project install goes to .agents/skills/; add -g for ~/.codex/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG cohp-analysis --agent codex

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .agents/skills && cp -r skills-src/.claude/skills/cohp .agents/skills/cohp-analysis && rm -rf skills-src

Use ~/.agents/skills/ instead of .agents/skills for a personal install.

Codex skills documentation · loads skills from .agents/skills/

Paste into Codex

Install the "cohp-analysis" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp into .agents/skills/cohp-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "cohp-analysis", then confirm the skill loads.

Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a cursor

Project install goes to .agents/skills/; add -g for ~/.cursor/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG cohp-analysis --agent cursor

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/.claude/skills/cohp .cursor/skills/cohp-analysis && rm -rf skills-src

Use ~/.cursor/skills/ instead of .cursor/skills for a personal install.

Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/

Paste into Cursor

Install the "cohp-analysis" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp into .cursor/skills/cohp-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "cohp-analysis", then confirm the skill loads.

Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

gemini skills install

$ gemini skills install https://github.com/Hello-QM/catgo-LRG.git --path .claude/skills/cohp

--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a gemini-cli

Project install goes to .agents/skills/; add -g for ~/.gemini/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG cohp-analysis --agent gemini-cli

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/.claude/skills/cohp .gemini/skills/cohp-analysis && rm -rf skills-src

Use ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.

Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/

Paste into Gemini CLI

Install the "cohp-analysis" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp into .gemini/skills/cohp-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "cohp-analysis", then confirm the skill loads.

Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG cohp-analysis

Installs for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a github-copilot

Project install goes to .agents/skills/; add -g for ~/.copilot/skills/.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .github/skills && cp -r skills-src/.claude/skills/cohp .github/skills/cohp-analysis && rm -rf skills-src

Use ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.

GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/

Paste into GitHub Copilot

Install the "cohp-analysis" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp into .github/skills/cohp-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "cohp-analysis", then confirm the skill loads.

GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

skills CLI

$ npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a opencode

OpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.

GitHub CLI

$ gh skill install Hello-QM/catgo-LRG cohp-analysis --agent opencode

Project scope by default (.agents/skills/); add --scope user for a personal install.

Manual copy

$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/.claude/skills/cohp .opencode/skills/cohp-analysis && rm -rf skills-src

Use ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.

OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/

Paste into OpenCode

Install the "cohp-analysis" agent skill from https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/cohp into .opencode/skills/cohp-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "cohp-analysis", then confirm the skill loads.

OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.

Facts

Skill name: cohp-analysis
GitHub stars: 205
Token cost: ~1.4k tokens
SKILL.md length: 394 words
Files: 1
Skills in repo: 75
Repo updated: Sep 22, 2026
First seen: Oct 7, 2026
Licence: AGPL-3.0

At a glance

A skill your agent uses when the user asks about COHP (Crystal Orbital Hamilton Population), chemical bonding analysis, LOBSTER output, orbital-resolved bonding, or bonding/antibonding character…

Works in 3 steps: Run VASP static calculation with… → Add COHP analysis node → Connect and run
The user asks about COHP (Crystal Orbital Hamilton Population)
SKILL.md covers Overview, MCP Tool: catgo_analyze…, Parameters and Complete Workflow: VASP +…, plus 2 more sections
Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Cohp Analysis is an agent skill from Hello-QM/catgo-LRG. Use when the user asks about COHP (Crystal Orbital Hamilton Population), chemical bonding analysis, LOBSTER output, orbital-resolved bonding, or bonding/antibonding character between atoms.

Its SKILL.md is about 1.4k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

The repository describes itself as: AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission… The licence is AGPL-3.0.

When your agent uses it

The user asks about COHP (Crystal Orbital Hamilton Population)
Chemical bonding analysis
Orbital-resolved bonding
Bonding/antibonding character between atoms

Example prompts

“/cohp-analysis”

Workflow steps

3 steps, taken from the step headings in SKILL.md.

Run VASP static calculation with LOBSTER-compatible settings
Add COHP analysis node
Connect and run

What it can do on your machine

Read from SKILL.md and the folder at commit fd6291b. It shows what the files ask for, not the result of running them.

Tool permissions
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Runs code
No scripts in the folder and no shell commands in SKILL.md (its code samples are json).
From the folder's file list and the shell code blocks in SKILL.md.
Network
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Cohp Analysis loads about 1.4k tokens when it runs. Until then it costs about 51 tokens; SKILL.md has 394 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it: ~51
When it runs · the whole SKILL.md, loaded when a task matches: ~1.4k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

The full file from Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 394 words, ~1,350 tokens.

Download SKILL.mdSave it as .claude/skills/cohp-analysis/SKILL.md (or your agent's skills folder).

name: cohp-analysis
description: Use when the user asks about COHP (Crystal Orbital Hamilton Population), chemical bonding analysis, LOBSTER output, orbital-resolved bonding, or bonding/antibonding character between atoms.
tags: analysis, bonding, COHP, LOBSTER, orbital

COHP Analysis

Overview

Crystal Orbital Hamilton Population (COHP) analysis quantifies bonding and antibonding interactions between atom pairs in a crystal. COHP data is generated by LOBSTER from DFT output (typically VASP). CatGo reads COHPCAR.lobster files and provides interactive visualization and data extraction.

Key applications:

Bonding character: Identify bonding (negative COHP) vs antibonding (positive COHP) regions
Orbital-resolved analysis: Decompose into s-s, p-d, d-d contributions
Catalyst design: Understand adsorbate-surface bonding (e.g., CO-Pt d-band interactions)
Integrated COHP (ICOHP): Quantitative bond strength from ICOHPLIST.lobster

MCP Tool: catgo_analyze (workflow node: cohp_analysis)

COHP analysis in the Claude Code MCP uses the workflow node cohp_analysis or the dedicated catgo_cohp_data tool (in the full MCP server). The workflow engine automatically reads LOBSTER output from a parent calculation step.

Workflow-Based COHP Analysis

Add a cohp_analysis node downstream of a VASP calculation that produces LOBSTER output:

json

{"tool": "catgo_workflow", "arguments": {
  "action": "add_node", "workflow_id": "wf_bonding",
  "node_type": "cohp_analysis",
  "params": {"source": "parent_step"}
}}

Upload COHPCAR File Directly

If you have a COHPCAR.lobster file, upload it to create a session:

json

{"tool": "catgo_analyze", "arguments": {
  "action": "dos",
  "params": {"file_type": "COHPCAR", "remote_path": "/path/to/COHPCAR.lobster"}
}}

The upload returns a session_id along with metadata: nspin, npoints, efermi, and a list of available bonds with atom labels and distances.

Retrieve COHP Data for Specific Bonds

Once you have a session_id, query COHP data for specific bonds:

json

{"tool": "catgo_analyze", "arguments": {
  "action": "dos",
  "params": {
    "session_id": "abc-123",
    "bond_indices": [1, 3],
    "include_orbitals": false
  }
}}

Orbital-Resolved COHP

To decompose bonding into orbital contributions (e.g., p-d interactions):

json

{"tool": "catgo_analyze", "arguments": {
  "action": "dos",
  "params": {
    "session_id": "abc-123",
    "bond_indices": [1],
    "include_orbitals": true,
    "orbital_filter": ["p-d", "s-d"]
  }
}}

Aggregate Orbital COHP

Sum orbital contributions for a cleaner view:

json

{"tool": "catgo_analyze", "arguments": {
  "action": "dos",
  "params": {
    "session_id": "abc-123",
    "bond_indices": [1],
    "aggregate_orbitals": true,
    "orbital_filter": ["d-d"]
  }
}}

Parameters

Parameter	Type	Description
session_id	string	Session ID from COHPCAR upload
bond_indices	int[]	1-based bond numbers to retrieve (from upload metadata)
include_orbitals	bool	Include orbital-decomposed COHP (default false)
orbital_filter	string[]	Filter orbital pairs, e.g. `["p-d", "s-d"]`
aggregate_orbitals	bool	Sum filtered orbital contributions (default false)

Show full SKILL.md (138 more words)Show less

Complete Workflow: VASP + LOBSTER COHP

1. Run VASP static calculation with LOBSTER-compatible settings

json

{"tool": "catgo_workflow", "arguments": {
  "action": "create", "name": "COHP bonding analysis"
}}

json

{"tool": "catgo_workflow", "arguments": {
  "action": "add_node", "workflow_id": "wf_cohp",
  "node_type": "single_point",
  "params": {
    "software": "vasp",
    "ENCUT": 520,
    "ISYM": -1,
    "NBANDS": 200,
    "system_name": "static for LOBSTER"
  }
}}

2. Add COHP analysis node

json

{"tool": "catgo_workflow", "arguments": {
  "action": "add_node", "workflow_id": "wf_cohp",
  "node_type": "cohp_analysis",
  "params": {"source": "parent_step"}
}}

3. Connect and run

json

{"tool": "catgo_workflow", "arguments": {
  "action": "connect",
  "workflow_id": "wf_cohp",
  "from_id": "static_node_id",
  "to_id": "cohp_node_id",
  "from_handle": "data",
  "to_handle": "data"
}}

Return Format

COHP data is returned as:

json

{
  "energies": [-10.0, -9.95, ...],
  "series": [
    {
      "label": "Fe1-O2 (2.01 A)",
      "spin_up": [0.12, 0.15, ...],
      "spin_down": [-0.08, -0.10, ...],
      "bond_index": 1,
      "is_total": true
    }
  ],
  "efermi": -2.35
}

Negative COHP values indicate bonding interactions; positive values indicate antibonding.

Common Pitfalls

LOBSTER requires specific VASP settings: ISYM = -1 (no symmetry), sufficient NBANDS, and LWAVE = .TRUE. for wavefunction output.
Bond indices are 1-based (matching LOBSTER convention). Index 0 is the "Average" across all bonds.
Large COHPCAR files (>100 MB) may take several seconds to parse. The session is cached for 30 minutes after last access.
For spin-polarized calculations, both spin_up and spin_down channels are returned. Non-magnetic calculations have spin_down = null.
ICOHP (integrated COHP) from ICOHPLIST.lobster provides a single number per bond -- use it for quick bond strength comparisons without needing the full energy-resolved COHP.

Files

Just SKILL.md in .claude/skills/cohp of Hello-QM/catgo-LRG.

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Cohp Analysis next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Cohp Analysis compared with similar skills
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HTML Ppt Zhangzara 8 Bit Orbitnexu-io/open-design	100k	—	~1.2k	Automated safety check: Pass	MIT	today
3D Orbit Inspect DemoMengTo/Skills	6.7k	—	~2.5k	Automated safety check: Pass	MIT	2 days ago

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Questions about Cohp Analysis

What does Cohp Analysis do?

A skill your agent uses when the user asks about COHP (Crystal Orbital Hamilton Population), chemical bonding analysis, LOBSTER output, orbital-resolved bonding, or bonding/antibonding character…. Cohp Analysis is an agent skill from Hello-QM/catgo-LRG. Use when the user asks about COHP (Crystal Orbital Hamilton Population), chemical bonding analysis, LOBSTER output, orbital-resolved bonding, or bonding/antibonding character between atoms.

When should I use Cohp Analysis?

Cohp Analysis fits situations like: the user asks about COHP (Crystal Orbital Hamilton Population); chemical bonding analysis; orbital-resolved bonding; bonding/antibonding character between atoms.

How do I install Cohp Analysis in Claude Code?

Run `npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a claude-code`. Or copy the skill folder (.claude/skills/cohp in Hello-QM/catgo-LRG) into .claude/skills/cohp-analysis in your project. Claude Code loads it when a task matches its description.

How do I install Cohp Analysis in Codex?

Run `npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a codex`. Or copy the skill folder (.claude/skills/cohp in Hello-QM/catgo-LRG) into .agents/skills/cohp-analysis in your project. Codex loads it when a task matches its description.

Can I use Cohp Analysis in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add Hello-QM/catgo-LRG --skill cohp-analysis -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/cohp-analysis, .gemini/skills/cohp-analysis, .github/skills/cohp-analysis and .opencode/skills/cohp-analysis in your project.

What does Cohp Analysis need to run?

SKILL.md names no scripts, command-line tools or credentials: Cohp Analysis is instructions for the agent only.

Does Cohp Analysis access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Cohp Analysis safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does Cohp Analysis use?

Cohp Analysis is published under the AGPL-3.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Cohp Analysis use?

About 1.4k tokens (SKILL.md is roughly 5.4k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Cohp Analysis?

Skills that share tags, products or a category with Cohp Analysis: Orbit Card (heygen-com/hyperframes, 59k stars), Frost Sequence Camera Orbit (heygen-com/hyperframes, 59k stars), 8 Bit Orbit Video Template (nexu-io/open-design, 100k stars) and HTML Ppt Zhangzara 8 Bit Orbit (nexu-io/open-design, 100k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Cohp Analysis?

Hello-QM (a GitHub user) maintains it in Hello-QM/catgo-LRG, which has 205 GitHub stars. The repository holds 75 skills in this directory. The repository was last updated on September 22, 2026.

Source: Hello-QM/catgo-LRG on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.

Install Cohp Analysis

Facts

At a glance

What it does

When your agent uses it

Example prompts

Workflow steps

What it can do on your machine

Tool permissions

Runs code

Network

Credentials

Context cost

Safety

SKILL.md

COHP Analysis

Overview

MCP Tool: catgo_analyze (workflow node: cohp_analysis)

Workflow-Based COHP Analysis

Upload COHPCAR File Directly

Retrieve COHP Data for Specific Bonds

Orbital-Resolved COHP

Aggregate Orbital COHP

Parameters

Complete Workflow: VASP + LOBSTER COHP

1. Run VASP static calculation with LOBSTER-compatible settings

2. Add COHP analysis node

3. Connect and run

Return Format

Common Pitfalls

Files

Compare with similar skills

Similar skills

More from Hello-QM/catgo-LRG

Questions about Cohp Analysis