Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874430e+01 -1.022654035874430e+01 5.110000000000000e-13 1.776356839400250e-15 PASS
Energy [step 5] -1.014064572817565e+01 -1.014064572817560e+01 5.070000000000000e-14 -4.618527782440651e-14 PASS
Energy [step 10] -1.013378662931817e+01 -1.013378662931820e+01 5.070000000000000e-13 3.019806626980426e-14 PASS
Energy [step 15] -1.012560361793025e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.248778858098376e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -1.421085471520200e-14 PASS
Dipole [step 1] 1.722550568980172e-15 -1.039108394869460e-15 5.830000000000000e-15 2.761658963849632e-15 PASS
Dipole [step 5] -3.955589211257097e-01 -3.955589211257070e-01 1.980000000000000e-14 -2.720046410331634e-15 PASS
Dipole [step 10] -7.406769413990236e-01 -7.406769413990340e-01 3.700000000000000e-14 1.032507412901396e-14 PASS
Dipole [step 15] -1.039087772402137e+00 -1.039087772402140e+00 5.200000000000000e-14 2.442490654175344e-15 PASS
Dipole [step 20] -1.295835165527726e+00 -1.295835165527720e+00 6.480000000000000e-14 -6.217248937900877e-15 PASS
Compare to other inputs