/scratch.global/bwaters/jobs/eb28749d-58f6-45fd-a422-598e9d1b441b-007/TE_392276771114_006-and-MO_411020944797_001-1751738471/staged_job_files/repository/te/ElasticConstantsCubic_fcc_V__TE_392276771114_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/eb28749d-58f6-45fd-a422-598e9d1b441b-007/TE_392276771114_006-and-MO_411020944797_001-1751738471/staged_job_files/repository/te/ElasticConstantsCubic_fcc_V__TE_392276771114_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:120: RuntimeWarning: Maximum number of iterations has been exceeded. fmin(self.energy_from_scale, 0, xtol=0, ftol=1e-7, maxiter=2000) /scratch.global/bwaters/jobs/eb28749d-58f6-45fd-a422-598e9d1b441b-007/TE_392276771114_006-and-MO_411020944797_001-1751738471/staged_job_files/repository/te/ElasticConstantsCubic_fcc_V__TE_392276771114_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:119: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.minscale = float( {"realtime":3.56,"usertime":3.67,"systime":4.65,"memmax":98132,"memavg":0}