Syntax

OPTImize OVERall

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

$<$xrefin-optimize-overall-statement$>$:==

ANISotropic=$<$logical$>$

carries out anisotropic refinement if TRUE; if FALSE, isotropic refinement is carried out ( default: FALSE).

B=$<$real$>$

is a starting overall isotropic B-factor (only for ANISotropic = FALSE) (default: 0).

B11=$<$real$>$

B22=$<$real$>$ B33=$<$real$>$ B12=$<$real$>$
B13=$<$real$>$ B23=$<$real$>$ is a starting overall anisotropic B-factor (only for ANISotropic=TRUE) (default: 0).

DROP=$<$real$>$

is the initial expected drop in the target function (default: 10.0).

NSTEp=$<$integer$>$

is the number of least-squares cycles ( default: 5).

TOLErance=$<$real$>$

specifies the termination criterion: minimal gradient (default: 0).