I have a calculation of metal and organic polymer on top. But it took for ever giving the following error:

GGA- PBE , Coarse options 

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Ef      -267834.216223Ha      -241.5636184Ha      1.14E+00  768.4m    497

Ef      -267868.934805Ha      -276.2822001Ha      1.07E+00  769.9m    498

Ef      -269274.879167Ha     -1682.2265627Ha      1.04E+00  771.4m    499

Ef      -267818.611383Ha      -225.9587784Ha      1.14E+00  772.9m    500

Message: SCF not converging. Choose larger smearing value in DMol3 SCF panel

or modify/delete "Occupation  Thermal" in the input file.

You may also need to change spin or use symmetry.

Resubmit DMol3.

Message: DMol3 job failed

Error: DMol3 exiting

Message: License checkin of MS_dmol successful

Message: License checkin of MS_dsolid successful

Error: SCF iterations not converged in  500 iterations

 DELTE = -2.700000000000000E-002

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