Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874429e+01 -1.022654035874430e+01 5.110000000000000e-13 7.105427357601002e-15 PASS
Energy [step 5] -1.014064572817563e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.842170943040401e-14 PASS
Energy [step 10] -1.013378662931815e+01 -1.013378662931820e+01 5.070000000000000e-13 4.973799150320701e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.239897073901375e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -8.881784197001252e-15 PASS
Dipole [step 1] 1.936889346724699e-15 -1.039108394869460e-15 5.830000000000000e-15 2.975997741594159e-15 PASS
Dipole [step 5] -3.955589211257059e-01 -3.955589211257070e-01 1.980000000000000e-14 1.110223024625157e-15 PASS
Dipole [step 10] -7.406769413990182e-01 -7.406769413990340e-01 3.700000000000000e-14 1.576516694967722e-14 PASS
Dipole [step 15] -1.039087772402133e+00 -1.039087772402140e+00 5.200000000000000e-14 6.883382752675971e-15 PASS
Dipole [step 20] -1.295835165527733e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.287858708565182e-14 PASS
Compare to other inputs