The init_vel_atoms function

init_vel_atoms

Function to initialize the value of the velocity of the atoms, following a random gaussian distribution center at a given temperature, and with total momentum zero. In this function the Boltzmann constant is in Hartree/Kelvin.

init_vel_atoms(amu,temp, nat, vel_out)

The input parameters for init_vel_atoms

amu real(8) dimension (nat) array with the atomic mass of the atoms in the structure.

temp real(8) value of the temperature.

nat integer, number of atoms in the system.

The output parameters for init_vel_atoms

vel_out real(8), dimension (3, nat), matrix with the initialized velocities of the atoms in the system.