/anvil/scratch/x-bwaters/jobs/jobs/af93646d-9208-469e-9e0b-62b18251c44c-007/TE_107628130267_006-and-MO_680820064987_001-1752098275/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /anvil/scratch/x-bwaters/jobs/jobs/af93646d-9208-469e-9e0b-62b18251c44c-007/TE_107628130267_006-and-MO_680820064987_001-1752098275/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_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) /anvil/scratch/x-bwaters/jobs/jobs/af93646d-9208-469e-9e0b-62b18251c44c-007/TE_107628130267_006-and-MO_680820064987_001-1752098275/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_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":4.02,"usertime":3.45,"systime":4.88,"memmax":104024,"memavg":0}