Page 1 of 1

cc linear response

Posted: 25 Oct 2018, 09:31
by hanysek
Hi Dalton,
I'm trying to run *CCLR to get octupole polarizability.
I added .CARMOM 3 to **INTEGRALS and specified the pair of operators in .OPERAT (in *CCLR) to CM000003 CM000003
But for all combinations of these I get the answer like :"property LABEL CM00000 not found on file AOPROPER.
The out file attached.
Any help most welcome

Hanysek

Re: cc linear response

Posted: 26 Oct 2018, 02:10
by hjaaj
I do not know how it ended up that way, not very user friendly, but the two operator labels are always each 8 characters long and they must be specified with NO spacing between. Thus (for example):

Code: Select all

.OPERAT
CM000002CM00003
.OPERAT
XDIPLEN XDIPLEN

Re: cc linear response

Posted: 26 Oct 2018, 08:51
by hanysek
Thank you. Works well now.
Hanysek