[molpro-user] saving dump record and using it as initial guess

elkeshavarz5 at sci.ui.ac.ir elkeshavarz5 at sci.ui.ac.ir
Sun Oct 20 08:49:32 BST 2013

Dear users

I have convergence problem in a ccsd calculation and I have tried  
different options suggested in the manual. Now I want to use the wf of  
a converged calculation for another geometry as initial guess. As it  
is said in the manual, I have printed


at the beginning of the input file. It proceeds without any error, but  
I can not find the wfu file!
Furthermore, if I find it can I use it the same as a dump record as  
the initial guess in another computation? like


I appreciate any comment.
Elham Keshavarz

University of Isfahan (http://www.ui.ac.ir)

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