The init_vel_lattice function

init_vel_lattice

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_lattice(bmass, temp, h_in, h_dot_out)

The input parameters for init_vel_lattice

bmass real(8) mass of the barostat.

temp real(8) value of the temperature.

h_in real(8), dimension (3,3) lattice vectors given in a matrix where every column of the matrix correspond to a lattice vector.

The output parameters for init_vel_lattice

h_dot_out real(8), dimension (3,3) velocity of the lattice vectors given in a matrix where every column of the matrix correspond to a lattice vector.