dt variable


NAME

  dt -time step

DESCRIPTION

The dt variable determines the time step of molecular dynamics iterations. The value of dt must be given in atomic units (1 au_time = 0.02418885 femtosecond). The default time step is 3.0 atomic units.

DEFAULT VALUE

3

ALLOWED VALUES

positive floating point

RELATED INFORMATION

atoms_dyn, cell_dyn, wf_dyn



GP Home