<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 style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; background-color: transparent; font-style: normal" class="">I am trying to perform CAS(10,10) conical intersection search on a system with 210 electrons which is quite expensive. <span style="font-size: 12pt" class="">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 style="background-color: transparent" class="">Here is my input: </span></div><div style="background-color: transparent" class=""><br></div><div
style="background-color: transparent" class="">{MULTI,</div><div style="background-color: transparent" class="">occ,110</div><div style="background-color: transparent" class="">closed,100</div><div style="background-color: transparent" class="">wf,210,1,0</div><div style="background-color: transparent" class="">state,2</div><div style="background-color: transparent" class="">weight,0,1</div><div style="background-color: transparent" class="">wf,210,1,0</div><div style="background-color: transparent" class="">CPMCSCF,NACM,2.1,1.1,accu=1.0d-7,record=5100.1</div><div style="background-color: transparent" class="">CPMCSCF,GRAD,2.1,spin=0,accu=1.0d-7,record=5101.1</div><div style="background-color: transparent" class="">CPMCSCF,GRAD,1.1,spin=0,accu=1.0d-7,record=5102.1}</div><div style="background-color: transparent" class=""><br class="" style=""></div><div style="background-color: transparent" class="">{Force</div><div style="background-color: transparent"
class="">SAMC,5101.1</div><div style="background-color: transparent" class="">CONICAL,6100.1,nodc}</div><div style="background-color: transparent" class=""><br class="" style=""></div><div style="background-color: transparent" class="">{Force</div><div style="background-color: transparent" class="">SAMC,5102.1</div><div style="background-color: transparent" class="">CONICAL,6100.1,nodc}</div><div style="background-color: transparent" class=""><br class="" style=""></div><div style="background-color: transparent" class="">optg,startcmd=multi</div><div style="background-color: transparent" class=""><br class="" style=""></div><div style="background-color: transparent" class="">---</div><div style="background-color: transparent" class=""><br></div><div style="background-color: transparent; color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal;" class="">Best
regards,</div><div style="background-color: transparent; color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal;" class=""><br></div><div style="background-color: transparent; color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal;" class="">Justyna</div><div style="background-color: transparent" class=""><br></div><div style="background-color: transparent" class=""><br class="" style=""></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; background-color: transparent; font-style: normal" class=""><br class="" style=""></div></div></body></html>