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Alex Granovsky
gran@classic.chem.msu.su

we have updated MP2 gradient page to include information on several previously undocumented options:

http://classic.chem.msu.su/gran/gamess/mp2grd.html

regards,
Alex Granovsky


On Fri Mar 13 '09 1:47am, Richard wrote
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>Info in case anybody else comes across this:

>Problem: CPHF fails to converge during MP2 run despite changing various tolerances as recommended in the manual and readme files.

>Solution, as provided by Alex G: add thrdii=10 to the $mp2 group (current default thrdii=0.05).

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

>Richard