DFT++ uses the following units
- Energy (Hartree)
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1 Hartree = 2 Rydberg = 27.2116 eV.
- Length (Bohr)
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1 Bohr = 0.529177 A.
- Time (femto-second[fsec])
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1 femto-second = 1e-15 second.
Typical optical phonon mode has period around 100 fsec.
- Mass (Hartree*fsec^2/Bohr^2)
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1 mass unit = 1.556907e-27 kg = 0.937591 Mass Number.
1 nucleon mass (Mass Number) = 1.6605402e-27 kg