MaterialsAtlas App · DFT Calculation Tools

DFT Pseudopotential / Setup Checker

Check element coverage, code-specific pseudopotential requirements, and common setup risks before submitting DFT.

StatusAvailable

CategoryDFT Calculation Tools

App slugdft-pseudopotential-checker

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About this app

Check element coverage, code-specific pseudopotential requirements, and common setup risks before submitting DFT.

MaterialsAtlas apps are browser-based materials science tools for composition checks, structure analysis, screening, prediction, visualization, and research workflows.