/scratch.global/bwaters/jobs/cc89feb8-b25c-40c9-b770-8e70b0ce8490-007/TE_143620255826_006-and-MO_800509458712_003-1750890706/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Al__TE_143620255826_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/cc89feb8-b25c-40c9-b770-8e70b0ce8490-007/TE_143620255826_006-and-MO_800509458712_003-1750890706/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Al__TE_143620255826_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":2.52,"usertime":1.23,"systime":1.14,"memmax":95564,"memavg":0}