MODULE Constants ! ! Contains constants, masses, conversion factors ! IMPLICIT NONE REAL, PARAMETER :: MC=12.000, MH=1.008, MD=2.014, MPt=63.546 ! The masses are the same as in VASP REAL, PARAMETER :: PI = ACOS( -1.) REAL, PARAMETER :: au2Ang=0.52917721092,amu2au=1822.88839,fs2au=41.341373337, & au2eV=27.21138505, J2eV=6.24181E18, Hz2eV=4.13558E-15, & amu2kg=1.66053892E-27, wn2J=1.98630D-23, eV2wn=8065.54445D0, & ! Conversion factors from NIST Database ev2kjmol=96.4853365E0 REAL, PARAMETER :: h=6.6260695729E-34 ! Planck's Constant ( m^2 * Kg / s ) REAL, PARAMETER :: kb=1.3806503D-23 ! Boltzmann Constant END MODULE