<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div class="" style="">Dear Molpro users,</div><div class="" style=""><br class="" style=""></div><div class="" style="background-color: transparent">I am trying to perform CAS(10,10) conical intersection search on a system with 210 electrons which is quite expensive. <span class="" style="font-size: 12pt">I was wondering if there is an option I could use to decrease the cost of calculation for example by cutting orbital rotation derivative contributions from CPMCSCF equations? </span><span class="" style="background-color: transparent">Here is my input: </span></div><div class="" style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">{MULTI,</div><div class="" style="background-color: transparent">occ,110</div><div
class="" style="background-color: transparent">closed,100</div><div class="" style="background-color: transparent">wf,210,1,0</div><div class="" style="background-color: transparent">state,2</div><div class="" style="background-color: transparent">weight,0,1</div><div class="" style="background-color: transparent">wf,210,1,0</div><div class="" style="background-color: transparent">CPMCSCF,NACM,2.1,1.1,accu=1.0d-7,record=5100.1</div><div class="" style="background-color: transparent">CPMCSCF,GRAD,2.1,spin=0,accu=1.0d-7,record=5101.1</div><div class="" style="background-color: transparent">CPMCSCF,GRAD,1.1,spin=0,accu=1.0d-7,record=5102.1}</div><div class="" style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">{Force</div><div class="" style="background-color: transparent">SAMC,5101.1</div><div class="" style="background-color: transparent">CONICAL,6100.1,nodc}</div><div class=""
style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">{Force</div><div class="" style="background-color: transparent">SAMC,5102.1</div><div class="" style="background-color: transparent">CONICAL,6100.1,nodc}</div><div class="" style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">optg,startcmd=multi</div><div class="" style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">---</div><div class="" style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">Best regards,</div><div class="" style="background-color: transparent"><br class="" style=""></div><div class="" style="background-color: transparent">Justyna</div><div class="" style=""><br class="" style=""></div><div class="" style=""><br class=""
style=""></div></div></body></html>