CCL: SCF convergence problem with M06L functional in Gaussian 09



 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.