$GRID


$GRID group (not required)

This group is used to input a grid (plane through the molecule) on which properties will be calculated.

ORIGIN(i)
= coordinates of the lower left corner of the plot.

XVEC(i)
= coordinates of the lower right corner of the plot.

YVEC(i)
= coordinates of the upper left corner of the plot.

SIZE
= grid increment, default is 0.25.

UNITS
= units of the above four values, it can be either BOHR or ANGS (the default).

Note that XVEC and YVEC are not necessarily parallel to the X and Y axes, rather they are the axes which you desire to see plotted by the MEPMAP contouring program.


For conversion factors, and references see the 'further information' section.


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