EXCEED-DMv0.2.8: DFT-Computed Electronic Wave Functions for Si and Ge

EXCEED-DMv0.2.8 provides electronic wave function coefficients for silicon and germanium, computed using Density Functional Theory. The data includes coefficients with and without all-electron reconstruction on a uniform 10x10x10 k mesh. Sinéad M. Griffin of Lawrence Berkeley National Laboratory created this dataset for computing Dark Matter induced electronic excitation rates.

Use Cases

• Compute Dark Matter induced electronic excitation rates based on the provided wave function coefficients.
• Benchmark all-electron reconstruction methods for electronic wave functions in semiconductors.
• Study electronic properties of silicon and germanium on a 10x10x10 k mesh for materials modeling.

Strengths

• Data is specifically designed for compatibility with the EXCEED-DMv0.2.8 software package.
• Includes wave function coefficients both with and without all-electron reconstruction, allowing for method comparison.
• Covers two key semiconductor materials, silicon and germanium, on a defined 10x10x10 k-point mesh.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for large-scale analyses.
• Last update date is unknown; freshness unverified.

Provenance

Source

Sinéad M. Griffin, Lawrence Berkeley National Laboratory

Collection Method

Likely generated via Density Functional Theory (DFT) computations.