DFT optimization failed

[Thirumoorthy Krishnan]

Hi,

I was trying to geometry optimization with DFT but it is not successfully completed.

It shows "WARNING : Found    20 linear dependencies"

Pls find the attached output files.

Kindly let me know, how to resolve it.

Thanks for your support.

with regards,

thirumoorthy k

[Edoardo Aprà]

There is no error message in the output you posted.

It is likely your job ran out of time.

You might want to try the following input changes to speed up the calculation.

basis spherical
  * library 6-311++G**
end

dft
  xc b3lyp
  mult 1
  convergence fast
  direct
end

task dft optimize