/anvil/scratch/x-bwaters/jobs/jobs/dfdd17ee-47d7-4d54-9304-feb318e2380c-007/TE_746865778644_001-and-MO_871937946490_001-1751989645/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:128: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)
/anvil/scratch/x-bwaters/jobs/jobs/dfdd17ee-47d7-4d54-9304-feb318e2380c-007/TE_746865778644_001-and-MO_871937946490_001-1751989645/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:131: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms.
  numAtoms = atoms.get_number_of_atoms()
/anvil/scratch/x-bwaters/jobs/jobs/dfdd17ee-47d7-4d54-9304-feb318e2380c-007/TE_746865778644_001-and-MO_871937946490_001-1751989645/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:143: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(self.calc)
/anvil/scratch/x-bwaters/jobs/jobs/dfdd17ee-47d7-4d54-9304-feb318e2380c-007/TE_746865778644_001-and-MO_871937946490_001-1751989645/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:181: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms.
  numAtoms = atoms.get_number_of_atoms()
/anvil/scratch/x-bwaters/jobs/jobs/dfdd17ee-47d7-4d54-9304-feb318e2380c-007/TE_746865778644_001-and-MO_871937946490_001-1751989645/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:217: RuntimeWarning: Maximum number of function evaluations has been exceeded.
  tmpCellVector, tmpEnVacancy = fmin(

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