How do I install the Dft Server skill?

Run npx skillmds@latest add usst-yk/dft-server in your terminal (requires Node.js), paste this page's agent-chat prompt into Claude, Cursor, or any MCP-connected agent, or download the SKILL.md file and copy it into your agent's skills directory.

Is Dft Server safe to use?

This skill has not completed SkillMD's automated safety review yet. SkillMD never runs a skill's scripts for you; review the SKILL.md before installing.

Which AI agents work with Dft Server?

This skill is tagged as working with Claude Code, Claude.ai, OpenAI Codex. SKILL.md is an open format, so most agents that read a skills directory can load it too.

Is Dft Server free to use?

Yes. Installing skills from SkillMD is free, and the skill stays under its author's original license.

Who published Dft Server?

usst-yk (@usst-yk) published this skill. Their other Agent Skills are listed on their SkillMD profile.

Dft Server by usst-yk — Agent Skill

Name: Dft Server
Author: usst-yk

File contents

DFT Server

Use this skill for DFT first-principles work: SSH setup, server status, $DFT_SERVER_WORK_ROOT project directories, VASP, VASPkit, Wannier90, WannierBerri, WannierTools, WannSymm, and Slurm job submission.

Agent Files

Load only the relevant file from agents/:

quickstart.md       common commands and entry points
server.md           login, server parameters, installed software, layout
dft-assistant.md    self-service DFT input generation and confirmation
submission.md       Slurm scripts, submission, and pre-submit checks
vasp.md             VASP checks and run choices
vaspkit.md          VASPkit usage and warnings
wannier90.md        Wannier90 and postw90
wannierberri.md     WannierBerri Python workflows
wanniertools.md     WannierTools workflows
wannsymm.md         WannSymm workflows

Defaults

SSH target: dft-server
Work root: $DFT_SERVER_WORK_ROOT
Default generated job: cpu partition, 1 node, 60 tasks, 2000:00:00

Create new Codex-managed calculations only under $DFT_SERVER_WORK_ROOT unless the user explicitly asks otherwise. Use clear names such as FeS_relax_20260512, CuCrTe2_soc_v1, or MnBi2Te4_wannier_ahc.

Core Safety

Default to read-only inspection. Do not submit, cancel, delete, overwrite, or move calculation files unless the user explicitly asks.

Never store the server password. First-time password use is only for scripts/dft_server_setup_key.sh, which installs SSH key login.

Always preview before writing inputs or submitting jobs when the target, mode, or required files are not completely clear.

Do not run VASPkit task 109 as an automatic safe check on this server; it was observed to submit a VASP job.

References

VASP: https://vasp.at/wiki/The_VASP_Manual
VASPkit: https://vaspkit.com
Wannier90: https://wannier90.readthedocs.io/en/latest/
WannierBerri: https://wannier-berri.org/index.html
WannierTools: http://www.wanniertools.com

---name: dft-serverdescription: Connect to the user's DFT first-principles server, manage SSH key login, generate/check DFT inputs, run VASPkit helpers, and prepare or submit VASP/Wannier-related jobs.---# DFT ServerUse this skill for DFT first-principles work: SSH setup, server status, `$DFT_SERVER_WORK_ROOT` project directories, VASP, VASPkit, Wannier90, WannierBerri, WannierTools, WannSymm, and Slurm job submission.## Agent FilesLoad only the relevant file from `agents/`:```textquickstart.md common commands and entry pointsserver.md login, server parameters, installed software, layoutdft-assistant.md self-service DFT input generation and confirmationsubmission.md Slurm scripts, submission, and pre-submit checksvasp.md VASP checks and run choicesvaspkit.md VASPkit usage and warningswannier90.md Wannier90 and postw90wannierberri.md WannierBerri Python workflowswanniertools.md WannierTools workflowswannsymm.md WannSymm workflows```## Defaults```textSSH target: dft-serverWork root: $DFT_SERVER_WORK_ROOTDefault generated job: cpu partition, 1 node, 60 tasks, 2000:00:00```Create new Codex-managed calculations only under `$DFT_SERVER_WORK_ROOT` unless the user explicitly asks otherwise. Use clear names such as `FeS_relax_20260512`, `CuCrTe2_soc_v1`, or `MnBi2Te4_wannier_ahc`.## Core SafetyDefault to read-only inspection. Do not submit, cancel, delete, overwrite, or move calculation files unless the user explicitly asks.Never store the server password. First-time password use is only for `scripts/dft_server_setup_key.sh`, which installs SSH key login.Always preview before writing inputs or submitting jobs when the target, mode, or required files are not completely clear.Do not run VASPkit task `109` as an automatic safe check on this server; it was observed to submit a VASP job.## References```textVASP: https://vasp.at/wiki/The_VASP_ManualVASPkit: https://vaspkit.comWannier90: https://wannier90.readthedocs.io/en/latest/WannierBerri: https://wannier-berri.org/index.htmlWannierTools: http://www.wanniertools.com```

Frequently asked questions

Dft Server