relax

Name: relax
Author: jinzhezenggroup

SKILLWorkflowcommunity

v0.0.0jinzhezenggroupLGPL-3.0Updated 2d agoSource →

Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.

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2d agoLast update

Skill

Authorjinzhezenggroup

Version0.0.0

LicenseLGPL-3.0

CategoryWorkflow

Formatsskill.md

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Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.

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