Information

Official site

https://github.com/j-iwata/RSDFT

License

Apache License V2.0

Availability

Language: Fortran
Operating environment: PACS-CS, Tsukuba University T2K, SGI Altix, K (Linux)

Core Developers

Atsushi Oshiyama (Graduate School of Engineering, The University of Tokyo)

Target substance/model

Metals, semiconductors, surface/interface, defects, and nanostructures

Physical quantities that can be computed

Electron density, total energy, wave function, and band structure

Methodology

Real-space finite-difference pseudopotential method; conjugate gradient method

Related App
Related keywords
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