Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873566e+01 -1.022657179873567e+01 1.020000000000000e-13 1.421085471520200e-14 PASS
Energy [step 5] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 1.776356839400250e-14 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 7.105427357601002e-15 PASS
Energy [step 15] -1.012563491015763e+01 -1.012563491015765e+01 1.010000000000000e-13 2.486899575160351e-14 PASS
Energy [step 20] -1.011739812323844e+01 -1.011739812323845e+01 1.010000000000000e-13 1.243449787580175e-14 PASS
Dipole [step 1] -3.427813588530171e-15 -7.216449660063501e-16 8.000000000000001e-15 -2.706168622523821e-15 PASS
Dipole [step 5] -3.955586853259959e-01 -3.955586853259932e-01 9.279999999999999e-15 -2.720046410331634e-15 PASS
Dipole [step 10] -7.406750729061571e-01 -7.406750729061549e-01 7.410000000000000e-15 -2.220446049250313e-15 PASS
Dipole [step 15] -1.039084057464626e+00 -1.039084057464608e+00 1.940000000000000e-14 -1.776356839400250e-14 PASS
Dipole [step 20] -1.295829936532777e+00 -1.295829936532780e+00 1.490000000000000e-14 3.108624468950438e-15 PASS
Projections 2.081668171172169e-17 1.179611963664229e-16 3.610000000000000e-14 -9.714451465470120e-17 PASS
Projections 9.999999999999989e-01 1.000000000000000e+00 3.940000000000000e-14 -1.110223024625157e-15 PASS
Compare to other inputs