Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 83] -1.351350309405765e+01 -1.351350309405791e+01 3.000000000000000e-13 2.575717417130363e-13 PASS
Energy [step 103] -1.351351009473343e+01 -1.351351009473370e+01 4.500000000000000e-13 2.664535259100376e-13 PASS
Multipoles [step 83] 6.218975445716387e-04 6.218975443429170e-04 3.000000000000000e-13 2.287216640042833e-13 PASS
Multipoles [step 103] 3.990050594492734e-03 3.990050594276555e-03 3.000000000000000e-13 2.161786374910157e-13 PASS
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