CCL: SCF convergence problem with M06L functional in Gaussian 09

 Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal
 [victor]![fluor.quimica.uniovi.es]
 On Fri, Feb 26, 2016 at 01:58:59PM +0000, Close, David M. CLOSED!^!mail.etsu.edu
 wrote:
 >
 > Sent to CCL by: "Close, David M." [CLOSED : mail.etsu.edu]
 > Bulumoni:
 >   If the solution is oscillating, then adding more cycles will not help.
 It would be best to animate the output and see which part of the molecule is
 changing.  Usually this is evident.  Perhaps some rocking motion.  Anyway, find
 the atoms involved and freeze their motion.  Then the optimization will converge
 rapidly.
 Dave's solution is best, but damping the scf convergence may require less user
 time and more cpu time if you are in a hurry.
 Good luck,
          Víctor Luaña
 --
      .  .    "The hardest part in solving a problem is recognizing
     / `' \   its existence. Learning the causes CAN be the road to
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   /`. \/ .'\          -- ¿?
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   \/`'`'`'\/          -- Jorge Wasenberg, 2015
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 ! Dr.Víctor Luaña, in silico chemist & prof. ! Mediocre is worse
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 ! Departamento de Química Física y Analítica ! good, but it is
 also
 ! Universidad de Oviedo, 33006-Oviedo, Spain ! worse than bad, because
 ! e-mail:   victor^fluor.quimica.uniovi.es   ! mediocrity is not a grade,
 ! phone: +34-985-103491  fax: +34-985-103125 ! it is an attitude
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