Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.065814103640150e-14 PASS
Energy [step 20] -1.060634982716857e+01 -1.060634982716860e+01 5.300000000000000e-13 3.375077994860476e-14 PASS
Multipoles [step 0] -3.371210720250119e-15 6.744248104320451e-16 4.500000000000000e-15 -4.045635530682164e-15 PASS
Multipoles [step 20] -1.265513823311260e-01 -1.265513823311230e-01 6.700000000000000e-15 -2.969846590872294e-15 PASS
Compare to other inputs