/scratch.global/bwaters/jobs/cb58bfbc-0a09-4593-945d-eb98d34489ba-007/TE_530002460811_006-and-MO_675947402254_000-1750715884/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Ti__TE_530002460811_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/cb58bfbc-0a09-4593-945d-eb98d34489ba-007/TE_530002460811_006-and-MO_675947402254_000-1750715884/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Ti__TE_530002460811_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":16.93,"usertime":16.43,"systime":18.71,"memmax":100312,"memavg":0}