Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874430e+01 -1.022654035874430e+01 5.110000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 5] -1.014064572817562e+01 -1.014064572817560e+01 5.070000000000000e-14 -2.486899575160351e-14 PASS
Energy [step 10] -1.013378662931819e+01 -1.013378662931820e+01 5.070000000000000e-13 1.421085471520200e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.241673430740775e-12 PASS
Energy [step 20] -1.011736675688520e+01 -1.011736675688520e+01 5.060000000000000e-13 -1.776356839400250e-15 PASS
Dipole [step 1] 2.255873466543504e-15 -1.039108394869460e-15 5.830000000000000e-15 3.294981861412964e-15 PASS
Dipole [step 5] -3.955589211257069e-01 -3.955589211257070e-01 1.980000000000000e-14 1.110223024625157e-16 PASS
Dipole [step 10] -7.406769413990191e-01 -7.406769413990340e-01 3.700000000000000e-14 1.487698852997710e-14 PASS
Dipole [step 15] -1.039087772402131e+00 -1.039087772402140e+00 5.200000000000000e-14 8.437694987151190e-15 PASS
Dipole [step 20] -1.295835165527719e+00 -1.295835165527720e+00 6.480000000000000e-14 1.332267629550188e-15 PASS
Compare to other inputs