[molpro-user] Restarting molpro CCSD(T) calculation

Min Seung Kyu min0220 at postech.ac.kr
Sun Feb 24 07:46:38 GMT 2008


Dear users and developers,

I'm trying to calculates ccsd(t) calculation for somewhat large system in 
AIX machines.

Because of walltime limit for machines, my job could not be finished 
normally.

I really want to know how to restart CCSD(T) calcultion.

My input file has only following commands:
...

geometry={...}
basis=...
hf
ccsd(t)

---

Because MP2 correlation energy calculation is normally ended, I want to 
know how to restart right before triples calcultion.

Thank you in advance.

Sincerely, Min.








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