<div>Hi-</div>
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<div>I met some problem with the optimizaation with MULTI. I was told that there is some input errors, but since I just started to use molpro, I was not able to find out the problem.</div>
<div>Can anyone give me some suggestion about that? Thank you.</div>
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<div>The output file displayed as following:</div>
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<div>***,laO2 geometry optimization<br>  memory,1000,m<br>  <br>  r=2.21 ang<br>  a=67<br>  geometry={La;<br>            O,  La,  r<br>            O,  La,  r,   O,   a}<br>  basis=<br>  {<br>  spd,O,avtz;c;<br>  <br>  spdfg,La,ECP28MWB_SEG;c;<br>
  <br>  ECP, la, ECP28MWB;}<br>  <br>  {hf;occ,13,5,8,3;closed,9,3,5,1;wf,45,1,3;}<br>  <br>  <br>  {multi;<br>  occ,13,5,8,3;<br>  closed,9,3,5,1;<br>  wf,45,1,3;state,2;<br>  cpmcscf,nacm,1.1,2.1,accu=1.0d-7,record=5100.1<br>
  cpmcscf,grad,1.1,spin=1.5,accu=1.0d-7,record=5101.1<br>  cpmcscf,grad,2.1,spin=1.5,accu=1.0d-7,record=5102.1<br>  }<br>  <br>  {Force<br>  SAMC,5100.1<br>  conical,6100.1}<br>  <br>  {Force<br>  SAMC,5101.1<br>  conical,6100.1}<br>
  <br>  {Force<br>  SAMC,5102.1<br>  conical,6100.1}<br>  <br>  optg, startcmd=multi<br>  ---</div>
<div> Variables initialized (631), CPU time= 0.01 sec<br> Commands  initialized (426), CPU time= 0.03 sec, 469 directives.<br> Default parameters read. Elapsed time= 0.39 sec<br> Checking input...</div>
<div> No subdirectives defined for OCC</div>
<div> No subdirectives defined for CLOSED</div>
<div> Unknown directive MULTI for program HF-SCF<br> ? Error<br> ? input errors<br> ? The problem occurs in check_commands<br>Job ran on Machine=co-compute1 </div>
<div><br>THE_END_OF_FILE<br>THE_END_OF_FILE<br>THE_END_OF_FILE<br>THE_END_OF_FILE<br>THE_END_OF_FILE</div>
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