/anvil/scratch/x-bwaters/jobs/jobs/8e56a9fd-86ac-42fb-8a83-d65deef36b1b-007/TE_331337049300_006-and-MO_559016907324_001-1752185336/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Au__TE_331337049300_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/8e56a9fd-86ac-42fb-8a83-d65deef36b1b-007/TE_331337049300_006-and-MO_559016907324_001-1752185336/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Au__TE_331337049300_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":2.68,"usertime":1.33,"systime":1.00,"memmax":95908,"memavg":0}