Input 15-crank_nicolson.02-kick.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 1.060000000000000e-13 1.598721155460225e-14 PASS
Energy [step 5] -1.042950046762284e+01 -1.042950046762280e+01 5.210000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 10] -1.042949455599584e+01 -1.042949455599585e+01 5.470000000000000e-14 1.421085471520200e-14 PASS
Energy [step 15] -1.042949281135011e+01 -1.042949281135020e+01 5.210000000000000e-13 9.414691248821327e-14 PASS
Energy [step 20] -1.042949283327544e+01 -1.042949283327550e+01 5.210000000000000e-13 6.394884621840902e-14 PASS
Dipole [step 1] 4.229255834431456e-15 1.780638116610150e-16 6.520000000000000e-15 4.051192022770441e-15 PASS
Dipole [step 5] -7.295378386568957e-01 -7.295378386572620e-01 3.920000000000000e-13 3.662625758238391e-13 PASS
Dipole [step 10] -1.339265779872152e+00 -1.339265779872980e+00 8.630000000000000e-13 8.277822871605167e-13 PASS
Dipole [step 15] -1.833833176923827e+00 -1.833833176924580e+00 8.250000000000000e-13 7.527312106958561e-13 PASS
Dipole [step 20] -2.215306230136508e+00 -2.215306230136700e+00 1.110000000000000e-12 1.918465386552271e-13 PASS
Compare to other inputs