[molpro-user] restart caspt2 geometry optimization

THU TCCL tccl.thu at gmail.com
Sat Nov 5 13:20:01 GMT 2011

Dear Molpro developers and users,

    My question is to how to restart a caspt2 geometry optimization? I have
written "file,2, opt.wfu" at the begining of the original input file. When
I restart the  caspt2 geometry optimization, how to write the input file?
Can someone give me some suggestions or examples? If I just write the
"file,2, opt.wfu" at the begining of restart file, does it work? Should I
also change the geometry block?

Thanks in advance.
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