Hi all,
Literature shows that ADF uses DIIS for geometry optimization..but user
manual has no mention of how to manipulate (other than default) DIIS
behaviour in GEOMETRY block.I've observed (just by hit and trail) that
ADF does'nt mind putting DIIS subkey into GEOMETRY block in a pattern
similar to one in SCF block.
My question is: is it only fortutious or does it actually works and diis
bias at current optimization step can be systematically manipulated by
user ??... and which of the records for DIIS subkey in SCF block also
hold for GEOMETRY block?
Thanks in advance..

-- 
Your's truly
Masroor Ahmad
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