Input 15-crank_nicolson.04-freeze_states.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022654035874432e+01 -1.022654035874430e+01 5.110000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 5] -1.014064572817563e+01 -1.014064572817560e+01 5.070000000000000e-14 -3.019806626980426e-14 PASS
Energy [step 10] -1.013378662931816e+01 -1.013378662931820e+01 5.070000000000000e-13 4.085620730620576e-14 PASS
Energy [step 15] -1.012560361793024e+01 -1.012560361792900e+01 5.060000000000000e-12 -1.241673430740775e-12 PASS
Energy [step 20] -1.011736675688521e+01 -1.011736675688520e+01 5.060000000000000e-13 -5.329070518200751e-15 PASS
Dipole [step 1] 2.012279232133096e-15 -1.039108394869460e-15 5.830000000000000e-15 3.051387627002556e-15 PASS
Dipole [step 5] -3.955589211257068e-01 -3.955589211257070e-01 1.980000000000000e-14 1.665334536937735e-16 PASS
Dipole [step 10] -7.406769413990197e-01 -7.406769413990340e-01 3.700000000000000e-14 1.421085471520200e-14 PASS
Dipole [step 15] -1.039087772402135e+00 -1.039087772402140e+00 5.200000000000000e-14 5.329070518200751e-15 PASS
Dipole [step 20] -1.295835165527734e+00 -1.295835165527720e+00 6.480000000000000e-14 -1.354472090042691e-14 PASS
Compare to other inputs