/anvil/scratch/x-bwaters/jobs/jobs/c2eef3e8-a8ee-4fc2-b3c3-f90f6ba4ef40-007/TE_671746005240_006-and-MO_993644691224_001-1751907141/staged_job_files/repository/te/ElasticConstantsCubic_sc_Pd__TE_671746005240_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/c2eef3e8-a8ee-4fc2-b3c3-f90f6ba4ef40-007/TE_671746005240_006-and-MO_993644691224_001-1751907141/staged_job_files/repository/te/ElasticConstantsCubic_sc_Pd__TE_671746005240_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/c2eef3e8-a8ee-4fc2-b3c3-f90f6ba4ef40-007/TE_671746005240_006-and-MO_993644691224_001-1751907141/staged_job_files/repository/te/ElasticConstantsCubic_sc_Pd__TE_671746005240_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":5.96,"usertime":4.40,"systime":6.40,"memmax":100412,"memavg":0}