how to make RASSI compute transition angular moments

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:
: Dear users and developers! : I am trying to compute transition angular momenta within two sets of excited states of different symmetries. : My RASSI input file looks like that: : &rassi : nrof JobIphs : 2 6 6 : 1 2 3 4 5 6 : 1 2 3 4 5 6 : Properties : 3 : ANGM 1,ANGM 2,ANGM 3 : mein : xves : cipr : end of input : The GATEWAY input file contains the line: : ANGM=0. 0. 0. : which tells Seward to compute necessary integrals and specifies the origin for calculations of the ang. momentum components. : Nonetheless, I keep receiving this output from RASSI: : ############################################################################### : ############################################################################### : ### ### : ### ### : ### Requested integrals are missing. ### : ### ### : ### ### : ############################################################################### : ############################################################################### : Property name, and component:ANGM 1 : This record cannot be found. Some of the requested : properties cannot be computed. Suggested fix: Try : recomputing one-electron integrals with keyword : 'OneOnly', and additional keywords for the : properties needed. : Also missing:ANGM 2 : Also missing:ANGM 3 : Also missing:ANGM 1 : Also missing:ANGM 2 : Also missing:ANGM 3 : I have followed the hint an tried to recompute the one electron integrals with SEWARD, but it still does not help. : I would greatly appreciate any advice here! : My very best regards! : Marcin