<div>Dear all,</div>
<div>   I am trying to optimize a conical intersection between s0 state and t1state by use CONICAL card. However, I encounter a problem ! I know CADPAC gradient program cannot work with generally contracted basis functions, but I have done many jobs with CC-PVDZ basis and I donot wana change the basis. How can I resolve this problem? I am appreciate your help!
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<div> </div>
<div>This is my input file.</div>
<div>! $Revision: 2006.0 $<br>***,s0-t1-1<br>memory,200,m;<br>file,1,<a href="http://s0-t1-1.int">s0-t1-1.int</a>,new;<br>file,2,s0-t1-1.wfu,new;<br>punch,s0-t1-1.pun;<br>basis=cc-pvdz<br>geomtyp=zmat;<br>geom={angstrom;
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<div>~~~~</div>
<div>~~~~</div>
<div>~~~~</div>
<div>
<p>{hf;wf,38,1,0}</p>
<p>{multi;<br>occ,25;closed,13;<br>wf,38,1,0; !singlet state<br>wf,38,1,2; !triplet state<br>CPMCSCF,GRAD,1.1,spin=0,accu=1.0d-7,record=5101.1<br>CPMCSCF,GRAD,1.1,spin=1,accu=1.0d-7,record=5100.1 }</p>
<p>{Force<br>SAMC,5101.1 <br>CONICAL,6100.1,NODC} </p>
<p>{Force<br>SAMC,5100.1 <br>CONICAL,6100.1,NODC} </p>
<p>optg,startcmd=multi,gradient=1.d-6 </p>
<div>Thank you for any answers. Thank you very much!</div>
<div> </div>
<div>yours,</div>
<div>Chenggang Ci</div></div>