/scratch.global/bwaters/jobs/5095b560-05ce-48e4-ba0f-f15e479326dc-007/TE_044796406471_006-and-MO_757342646688_001-1752097437/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Pt__TE_044796406471_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/5095b560-05ce-48e4-ba0f-f15e479326dc-007/TE_044796406471_006-and-MO_757342646688_001-1752097437/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Pt__TE_044796406471_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":2.31,"usertime":2.15,"systime":0.98,"memmax":97828,"memavg":0}