/scratch.global/bwaters/jobs/dd9f1de0-0031-4e54-96c5-75b940825e02-007/TE_392276771114_006-and-MO_944449444863_001-1751989063/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/dd9f1de0-0031-4e54-96c5-75b940825e02-007/TE_392276771114_006-and-MO_944449444863_001-1751989063/staged_job_files/repository/te/ElasticConstantsCubic_fcc_V__TE_392276771114_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:120: RuntimeWarning: Maximum number of iterations has been exceeded. fmin(self.energy_from_scale, 0, xtol=0, ftol=1e-7, maxiter=2000) /scratch.global/bwaters/jobs/dd9f1de0-0031-4e54-96c5-75b940825e02-007/TE_392276771114_006-and-MO_944449444863_001-1751989063/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":4.09,"usertime":2.52,"systime":3.08,"memmax":94340,"memavg":0}