Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 20] -1.060637353666430e+01 -1.060637353666430e+01 1.060000000000000e-13 -1.776356839400250e-15 PASS
Multipoles [step 0] 1.185176956575162e-15 6.744248104320451e-16 4.500000000000000e-15 5.107521461431173e-16 PASS
Multipoles [step 20] -1.265509664058023e-01 -1.265509664058023e-01 2.600000000000000e-15 2.775557561562891e-17 PASS
Compare to other inputs