/scratch.global/bwaters/jobs/5b4fff44-a8f9-4aee-bd9d-3dbb9a47726b-007/TE_392276771114_006-and-MO_330233188199_001-1755730217/staged_job_files/repository/te/ElasticConstantsCubic_fcc_V__TE_392276771114_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/5b4fff44-a8f9-4aee-bd9d-3dbb9a47726b-007/TE_392276771114_006-and-MO_330233188199_001-1755730217/staged_job_files/repository/te/ElasticConstantsCubic_fcc_V__TE_392276771114_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":3.18,"usertime":1.43,"systime":1.62,"memmax":103996,"memavg":0}