Input 15-crank_nicolson.03-freeze_domains.inp

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.022657179873566e+01 -1.022657179873567e+01 1.020000000000000e-13 1.243449787580175e-14 PASS
Energy [step 5] -1.014067705119930e+01 -1.014067705119932e+01 1.010000000000000e-13 1.598721155460225e-14 PASS
Energy [step 10] -1.013381790798762e+01 -1.013381790798763e+01 1.010000000000000e-13 1.065814103640150e-14 PASS
Energy [step 15] -1.012563491015762e+01 -1.012563491015765e+01 1.010000000000000e-13 2.664535259100376e-14 PASS
Energy [step 20] -1.011739812323843e+01 -1.011739812323845e+01 1.010000000000000e-13 1.776356839400250e-14 PASS
Dipole [step 1] 3.344546861683284e-15 -7.216449660063501e-16 8.000000000000001e-15 4.066191827689634e-15 PASS
Dipole [step 5] -3.955586853259847e-01 -3.955586853259932e-01 9.279999999999999e-15 8.493206138382448e-15 PASS
Dipole [step 10] -7.406750729061555e-01 -7.406750729061549e-01 7.410000000000000e-15 -6.661338147750939e-16 PASS
Dipole [step 15] -1.039084057464605e+00 -1.039084057464608e+00 1.940000000000000e-14 2.664535259100376e-15 PASS
Dipole [step 20] -1.295829936532783e+00 -1.295829936532780e+00 1.490000000000000e-14 -3.552713678800501e-15 PASS
Projections 6.938893903907228e-18 1.179611963664229e-16 3.610000000000000e-14 -1.110223024625157e-16 PASS
Projections 9.999999999999993e-01 1.000000000000000e+00 3.940000000000000e-14 -6.661338147750939e-16 PASS
Compare to other inputs