/anvil/scratch/x-bwaters/jobs/jobs/d7c8121e-662f-492c-a290-8a9989e459ba-007/TE_287932658059_006-and-MO_679329885632_006-1752099229/staged_job_files/repository/te/ElasticConstantsCubic_fcc_U__TE_287932658059_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /anvil/scratch/x-bwaters/jobs/jobs/d7c8121e-662f-492c-a290-8a9989e459ba-007/TE_287932658059_006-and-MO_679329885632_006-1752099229/staged_job_files/repository/te/ElasticConstantsCubic_fcc_U__TE_287932658059_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) /anvil/scratch/x-bwaters/jobs/jobs/d7c8121e-662f-492c-a290-8a9989e459ba-007/TE_287932658059_006-and-MO_679329885632_006-1752099229/staged_job_files/repository/te/ElasticConstantsCubic_fcc_U__TE_287932658059_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":3.61,"usertime":3.48,"systime":3.69,"memmax":102248,"memavg":0}