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QuantumMASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage

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QuantumMASALA

QuantumMASALA: Quantum MAterialS Ab initio eLectronic-structure pAckage

This is a suite of codes which implement plane-wave pseudopotential based electronic structure calculations. The package includes an implementation of density functional theory (within the Kohn Sham framework) for solids, time-dependent density functional theory and many body perturbation theory (the GW Approximation).

For installation instructions, please see the INSTALL.md file.

For testing instructions, please see the tests/README.md file.

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