/scratch.global/bwaters/jobs/dd9f1de0-0031-4e54-96c5-75b940825e02-007/TE_295334088960_006-and-MO_944449444863_001-1751989074/staged_job_files/repository/te/ElasticConstantsCubic_bcc_V__TE_295334088960_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/dd9f1de0-0031-4e54-96c5-75b940825e02-007/TE_295334088960_006-and-MO_944449444863_001-1751989074/staged_job_files/repository/te/ElasticConstantsCubic_bcc_V__TE_295334088960_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":2.00,"usertime":1.32,"systime":1.30,"memmax":102072,"memavg":0}