/scratch.global/bwaters/jobs/3dab4296-41af-46d1-81cd-f4240bbf2d82-007/TE_451439446123_006-and-MO_679329885632_006-1752099313/staged_job_files/repository/te/ElasticConstantsCubic_bcc_U__TE_451439446123_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/3dab4296-41af-46d1-81cd-f4240bbf2d82-007/TE_451439446123_006-and-MO_679329885632_006-1752099313/staged_job_files/repository/te/ElasticConstantsCubic_bcc_U__TE_451439446123_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":2.51,"usertime":2.09,"systime":1.27,"memmax":97684,"memavg":0}