Searched refs:DftbpToTHz (Results 1 – 5 of 5) sorted by relevance
72 DftbpToTHz = sqrt(Hartree*EV/AMU)/(Bohr*1e-10)/(2*pi)/1e12 # [THz] 154.10794344 variable
505 DftbpToTHz, TurbomoleToTHz, CastepToTHz, FleurToTHz,565 units['factor'] = DftbpToTHz
96 `VaspToTHz``, and ``DftbpToTHz`` for DFTB+ is the default value. For