/scratch.global/bwaters/jobs/1ebe1750-ab47-4a7d-a16c-a8ed6eaeda8c-007/TE_167306356126_001-and-MO_626183701337_001-1752183152/staged_job_files/repository/te/ElasticConstantsCubic_diamond_He__TE_167306356126_001/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/1ebe1750-ab47-4a7d-a16c-a8ed6eaeda8c-007/TE_167306356126_001-and-MO_626183701337_001-1752183152/staged_job_files/repository/te/ElasticConstantsCubic_diamond_He__TE_167306356126_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":3.92,"usertime":3.43,"systime":4.19,"memmax":100388,"memavg":0}