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Re: MP2 CPHF convergence problem and fix

Alex Granovsky
gran@classic.chem.msu.su


Dear Richard,

>The thrdii DIIS threshold is current mentioned only in connection with $CIS in the manual.

thanks for your post. Frankly, I thought this option is documented somewhere...

Anyway, $MP2 group has several new interesting options related
to gradient runs, which were not documented as of yet.
I hope to update MP2 gradient documentation on the server
within several days. I'll add comments on thrdii as well...

Best regards,
Alex





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