/scratch/08773/bwaters/jobs/jobs/444e3f2b-cef9-46da-9e52-fa9303237522-007/TE_528940095865_001-and-MO_748534961139_006-1752097637/staged_job_files/repository/te/ElasticConstantsCubic_diamond_Ti__TE_528940095865_001/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch/08773/bwaters/jobs/jobs/444e3f2b-cef9-46da-9e52-fa9303237522-007/TE_528940095865_001-and-MO_748534961139_006-1752097637/staged_job_files/repository/te/ElasticConstantsCubic_diamond_Ti__TE_528940095865_001/../../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/08773/bwaters/jobs/jobs/444e3f2b-cef9-46da-9e52-fa9303237522-007/TE_528940095865_001-and-MO_748534961139_006-1752097637/staged_job_files/repository/te/ElasticConstantsCubic_diamond_Ti__TE_528940095865_001/../../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":5.46,"usertime":8.43,"systime":9.13,"memmax":340764,"memavg":0}