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*Warning* max. SCF cycles performed but system has not reached the groundstate.
  
Current total energy, E     =  -10221.90318714     eV
Current free energy (E-TS)  =  -10221.90428269     eV
(energies not corrected for finite basis set)

NB est. 0K energy (E-0.5TS)      =  -10221.90373491     eV

  ****************************************************************************
  Warning: electronic minimisation did not converge when finding ground state.
  ****************************************************************************
  Writing checkpoint file...

Writing model to 3D_Atomistic_cij__2__1.check
Error check_elec_ground_state : electronic_minimisation of initial cell failed.

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