[molpro-user] Saving frequencies

Шарапа Д.И. gess87 at mail.ru
Thu Oct 24 11:11:28 BST 2013

 Dear users of molpro, 

I am trying to calculate frequencies of a small molequle in CCSD(T). 
Total number of displacements:    600 
Calculation of every task is rather long and so far i am out of server time limit already after 10-20 tasks. 
I would like to save results of calculated tasks and restart from the saved point. 
I looked  https://www.molpro.net/info/2012.1/doc/manual/node633.html but didn't got how to save results after every task. 

Would be very thanksfull for any hints. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20131024/0f322fdb/attachment.html>

More information about the Molpro-user mailing list