/anvil/scratch/x-bwaters/jobs/jobs/86b126ee-343f-4447-ba69-8f09f7ec8b33-007/TE_403249981369_006-and-MO_524392058194_006-1752187268/staged_job_files/repository/te/ElasticConstantsCubic_sc_W__TE_403249981369_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/86b126ee-343f-4447-ba69-8f09f7ec8b33-007/TE_403249981369_006-and-MO_524392058194_006-1752187268/staged_job_files/repository/te/ElasticConstantsCubic_sc_W__TE_403249981369_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":2.46,"usertime":2.98,"systime":3.12,"memmax":102700,"memavg":0}