[molpro-user] Restarting numerical frequencies

Terry Frankcombe tjf at rsc.anu.edu.au
Tue May 27 03:14:53 BST 2008

Hi folks

My problem is the same as Like Thomas', which remained unanswered on the
mailing list.

How do you restart numerical frequency calculations?  (I'm using

Using the old wavefunction file, if I try just the frequencies command I
get Luke's error.  If I do a CASSCF calculation first, the freq job
starts again from the beginning.  If I try the start option to
frequencies I get:

 Error on FREQ directive

 Unknown parameter START for set FREQ

Anyone care to enlighten us poor clueless users?


Dr. Terry Frankcombe
Research School of Chemistry, Australian National University
Ph: (+61) 0417 163 509    Skype: terry.frankcombe

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