CCL:G: 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 Sat, Feb 27, 2016 at 12:03:39AM -0500, Bulumoni Kalita bulumoni() dibru.ac.in
 wrote:
 >
 > Sent to CCL by: "Bulumoni  Kalita" [bulumoni|-|dibru.ac.in]
 > Dear Users,
 >     Thank you very much for your replies.  The error shows as
 >
 > "Convergence failure -- run terminated"
 >
 > The input is as follows
 >
 > %chk=Pd4_3.chk
 > # opt(maxcycle=500) um06l/genecp nosym
 >
 > Pd4
 >
 > 0 1
 > Pd              1.55076100   -0.20840900   -0.52663500
 > Pd             -0.96047300   -1.23708300   -0.51996300
 > Pd              0.00639500   -0.00412900    1.56159200
 > Pd             -0.59668400    1.44962100   -0.51499300
 >
 > Pd 0
 > LANL2DZ
 > ****
 >
 > Pd 0
 > LANL2DZ
 >
 > Freezing one atom also did not solve the problem.
 >
 > Look forward for your discussion.
 Try damping. Your tetrahedral molecule might be breathing in and out
 or flexing in a cycle ...
 On the use of damping on g09 see:
 <http://www.gaussian.com/g_tech/g_ur/k_scf.htm>;
 Good luck,
 --
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