Input 16-sparskit.02-kick.inp
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618076e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 5] | -1.042952412811269e+01 | -1.042952412811269e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 10] | -1.042951822881432e+01 | -1.042951822881430e+01 | 1.040000000000000e-13 | -1.776356839400250e-14 | PASS |
| Energy [step 15] | -1.042951650355472e+01 | -1.042951650355473e+01 | 1.040000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.042951654541481e+01 | -1.042951654541481e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Dipole [step 1] | 2.888045698586344e-15 | -4.333620525691201e-16 | 7.190000000000000e-15 | 3.321407751155464e-15 | PASS |
| Dipole [step 5] | -7.295369601119543e-01 | -7.295369601119552e-01 | 7.300000000000000e-15 | 8.881784197001252e-16 | PASS |
| Dipole [step 10] | -1.339262937921837e+00 | -1.339262937921843e+00 | 1.340000000000000e-14 | 6.439293542825908e-15 | PASS |
| Dipole [step 15] | -1.833828192687673e+00 | -1.833828192687674e+00 | 1.830000000000000e-14 | 6.661338147750939e-16 | PASS |
| Dipole [step 20] | -2.215299399796870e+00 | -2.215299399796875e+00 | 2.220000000000000e-14 | 4.884981308350689e-15 | PASS |