/scratch.global/bwaters/jobs/134be0d5-6918-461b-b7d0-9a59c215cf93-007/TE_107628130267_006-and-MO_645806019892_001-1752175160/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/134be0d5-6918-461b-b7d0-9a59c215cf93-007/TE_107628130267_006-and-MO_645806019892_001-1752175160/staged_job_files/repository/te/ElasticConstantsCubic_fcc_W__TE_107628130267_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":2.66,"usertime":1.83,"systime":1.57,"memmax":102008,"memavg":0}