run -run molecular dynamics iterations

SYNOPSIS

  run n
  run n ne

DESCRIPTION

The run command runs n molecular dynamics (MD) iterations. If the optional argument ne is specified, the electronic wavefunctions are updated ne times before each update of the atomic position. By default, the electronic wavefunctions are updated only once before each update of atomic positions.

The algorithms used to update the electronic wavefunctions and the atomic positions depend on the values of the wf_dyn and atoms_dyn variables, respectively.

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