/scratch.global/bwaters/jobs/134be0d5-6918-461b-b7d0-9a59c215cf93-007/TE_451439446123_006-and-MO_649864794085_001-1752175860/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/134be0d5-6918-461b-b7d0-9a59c215cf93-007/TE_451439446123_006-and-MO_649864794085_001-1752175860/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":1.96,"usertime":1.56,"systime":1.30,"memmax":100696,"memavg":0}