<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi,</div><div><br></div><div>I would like to ask how I can get npi transition density from my SA-CASCF calculations. Here is my example input for water:</div><div><br></div><div>{casscf;<br>occ,6,2;closed,2,0;<br>wf,10,1,0;state,3;<br>wf,10,2,0;state,2;dm;}</div><div><br>{ci;wf,10,1,0;state,3;save,7300.1;dm,7400.1;noexc}<br>{ci;wf,10,2,0;state,2;save,7100.1;dm,7200.1;noexc}<br><br>{ci;trans,7100.1,7300.1,biorth;<br>save,7600.1;dm,7700.1;noexc}<br></div><div><br></div><div> {property<br> density,7700.1,TRANSITION,set=6;<br> pot,, -10.39349, -4.72431, -0.94486}</div><div><br></div><div>My calculations showed that dump record 7700.1 was not found. </div><div><br></div><div>Best wishes,</div></div></body></html>