Syntax

SEARch TRANslation

{ $<$xrefin-search-translation-statement$>$ } END is an xrefin statement. Action takes place as soon as the END statement is issued.

$<$xrefin-search-translation-statement$>$

:==

MODE=FRACtional$\vert$ORTHogonal

specifies whether the grid search will be carried out in fractional or orthogonal Å coordinates (default: FRACtional).

NLISt=$<$integer$>$

specifies the number of highest grid points that will be listed to the standard output (default: 101).

OUTPut=$<$filename$>$

specifies the filename for the full listing of the translation function (default: none, i.e., no full listing).

XGRId=$<$real$>$ $<$real$>$ $<$real$>$

specifies the starting value, step size, and ending value for the grid search along the x-direction. The starting value and the ending value must be identical if this direction is to be kept fixed. The step size should be less than $1 / (3 d_{min} a) ]$, where $1/d_{min}$ is the high-resolution limit (see Section 13.3) and $a$ is defined by the unit-cell geometry (see Section 13.3). This is a conservative estimate. In some cases it may be sufficient to double this estimate. Note that the CPU time requirement for the translation function is roughly an inverse cubic function of the step size for a three-dimensional translation function. Thus, one should use the largest possible value for the step size (default: 0. 0. 0. ).

YGRId=$<$real$>$ $<$real$>$ $<$real$>$

does the same as above for the y-direction.

ZGRId=$<$real$>$ $<$real$>$ $<$real$>$

does the same as above for the z-direction.