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@floatingCatty floatingCatty released this 03 Jun 03:30
· 85 commits to main since this release

The first release of dftio package.
Currently supporting DFT software: ABACUS, RESCU

Supported Physical Quantities: atomic structure, kpoints and eigenvalues, Hamiltonian, Overlap and Density Matrix under LCAO basis

Supported Output Format: .dat, lmdb