/anvil/scratch/x-bwaters/jobs/jobs/8daa87a1-ff79-4eeb-8434-33df7cdec32e-007/TE_786191422713_006-and-MO_675947402254_000-1750716611/staged_job_files/repository/te/ElasticConstantsCubic_sc_Mn__TE_786191422713_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/8daa87a1-ff79-4eeb-8434-33df7cdec32e-007/TE_786191422713_006-and-MO_675947402254_000-1750716611/staged_job_files/repository/te/ElasticConstantsCubic_sc_Mn__TE_786191422713_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":14.95,"usertime":16.40,"systime":20.35,"memmax":112524,"memavg":0}