/scratch.global/bwaters/jobs/ffb3b4cf-886c-4205-963d-14ac9b993b21-007/TE_840938621057_006-and-MO_939388497041_000-1756424871/staged_job_files/repository/te/ElasticConstantsCubic_sc_Be__TE_840938621057_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/ffb3b4cf-886c-4205-963d-14ac9b993b21-007/TE_840938621057_006-and-MO_939388497041_000-1756424871/staged_job_files/repository/te/ElasticConstantsCubic_sc_Be__TE_840938621057_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":1.92,"usertime":2.91,"systime":2.00,"memmax":93044,"memavg":0}