/scratch.global/bwaters/jobs/5a694a93-fd98-4ced-9c85-2279da7489b6-007/TE_107628130267_006-and-MO_870117231765_001-1751994061/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/5a694a93-fd98-4ced-9c85-2279da7489b6-007/TE_107628130267_006-and-MO_870117231765_001-1751994061/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_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":5.23,"usertime":3.88,"systime":5.42,"memmax":182808,"memavg":0}