/scratch.global/bwaters/jobs/796eeccd-33bc-4349-9fb4-9951db25f0da-007/TE_072068804815_006-and-MO_993644691224_001-1751907181/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Pd__TE_072068804815_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/796eeccd-33bc-4349-9fb4-9951db25f0da-007/TE_072068804815_006-and-MO_993644691224_001-1751907181/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Pd__TE_072068804815_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":2.32,"usertime":2.18,"systime":1.47,"memmax":96312,"memavg":0}