/scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_197224095763_006-and-MO_874930365376_001-1751989642/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Rb__TE_197224095763_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_197224095763_006-and-MO_874930365376_001-1751989642/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Rb__TE_197224095763_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":2.58,"usertime":2.22,"systime":3.06,"memmax":96576,"memavg":0}