/scratch.global/bwaters/jobs/d0595c7f-3fca-4833-980e-3d5c53f832f2-007/TE_944384516355_006-and-MO_748534961139_006-1752097584/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Ti__TE_944384516355_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/d0595c7f-3fca-4833-980e-3d5c53f832f2-007/TE_944384516355_006-and-MO_748534961139_006-1752097584/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Ti__TE_944384516355_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":2.85,"usertime":1.79,"systime":2.22,"memmax":100300,"memavg":0}