CCL: Computing volumes in G03



 Sent to CCL by: John McKelvey [jmmckel]^[gmail.com]
 Folks,
 I have been computing volumes using
 CISD/6-311G*  SCF=TIGHT VOLUME=TIGHT
 for first and second row atoms with charges of +1, 0, and -1 (and of
 course the appropriate multiplicities.)   I find differences between
 replicate runs to be as large as 20 percent.  I know that the answers
 are supposed to be approximate, but is there any way to tighten this
 up, perhaps by putting more points "in the box", or any other means?
 Many thanks!
 John
 --
 John McKelvey
 10819 Middleford Pl
 Ft Wayne, IN 46818
 260-489-2160
 jmmckel^_^gmail.com