set_cell command


NAME

  set_cell -define the dimensions of the unit cell

SYNOPSIS

  set_cell a b c [va vb vc]

DESCRIPTION

The set_cell command defines the dimensions of the simulation cell. Dimensions a, b and c must be given in atomic units. Optionally, the rate of change of the cell dimensions can be specified by va, vb and vc. The set_cell command causes the plane wave basis to be resized.

RELATED INFORMATION

set_ref_cell



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