/scratch.global/bwaters/jobs/1929eae6-59ef-40fc-b6b4-e8d7048b09e5-007/TE_140814555761_006-and-MO_786012902615_001-1752096848/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Pd__TE_140814555761_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/1929eae6-59ef-40fc-b6b4-e8d7048b09e5-007/TE_140814555761_006-and-MO_786012902615_001-1752096848/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Pd__TE_140814555761_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":1.79,"usertime":2.22,"systime":1.92,"memmax":94148,"memavg":0}