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<p class="MsoNormal">Dear Molpro users,<o:p></o:p></p><p class="MsoNormal"><br></p>
<p class="MsoNormal">I am trying to calculate VMP2 for a cluster using
CCSD(t)/aug-cc-pVDZ. Every time the calculation stopped with “? Error in
Victors” or “Fatal programming error in ccdiis” types of errors.<o:p></o:p></p>
<p class="MsoNormal">I have tried the recommended steps to do such these
calculations based on the manual by doing the mp2 optimization first then calculate
the anharmonic vibrational frequencies as a one step. Then, dump it to the
other ccsd(t) file. However,<o:p></o:p></p>
<p class="MsoNormal">The job stopped when calculating the 1D potential in SURF step.
May you please tell me how can avoid that problems?<o:p></o:p></p><p class="MsoNormal"><br></p>
<p class="MsoNormal">Regards,</p>
<p class="MsoNormal">MSU<o:p></o:p></p>
<p class="MsoNormal">Mickel<o:p></o:p></p> </div></body>
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