Functionalities
ΒΆ
KSSOLV2.0 can be used to perform several different types of electronic structure calculations
Ground state energy, density and force
Geometry optimization (atomic relaxation)
Ab initio Molecular Dynamics
Molecular Vibration and Phonons
Time-dependent DFT
GW quasi-particle energies
Bethe-Salpeter Equations
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KSSOLV2.0
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