Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589528e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 25] | -2.306769742300151e+01 | -2.306769742300152e+01 | 2.310000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 50] | -2.306775467891822e+01 | -2.306775467891822e+01 | 2.310000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 75] | -2.306781599419036e+01 | -2.306781599419036e+01 | 2.310000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 100] | -2.306787047809811e+01 | -2.306787047809808e+01 | 2.310000000000000e-13 | -3.552713678800501e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379020381176139e-02 | 4.379020381176082e-02 | 3.240000000000000e-15 | 5.620504062164855e-16 | PASS |
| Lx [step 50] | 7.224735351252683e-03 | 7.224735351252857e-03 | 5.220000000000000e-15 | -1.743397093356691e-16 | PASS |
| Lx [step 75] | -1.948219859188352e-02 | -1.948219859188698e-02 | 5.000000000000000e-15 | 3.455569164145800e-15 | PASS |
| Lx [step 100] | -3.047272914508420e-02 | -3.047272914508759e-02 | 4.720000000000000e-15 | 3.389649672058681e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184679143626543e-02 | -7.184679143626962e-02 | 1.000000000000000e-14 | 4.191091917959966e-15 | PASS |
| Ly [step 50] | -7.123199186353950e-03 | -7.123199186356521e-03 | 1.000000000000000e-14 | 2.570860191397628e-15 | PASS |
| Ly [step 75] | -4.172388260206759e-02 | -4.172388260206918e-02 | 1.000000000000000e-14 | 1.595945597898663e-15 | PASS |
| Ly [step 100] | -5.777039641925357e-02 | -5.777039641925555e-02 | 1.000000000000000e-14 | 1.977584762613560e-15 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.756003875546690e-02 | -9.756003875546621e-02 | 5.380000000000000e-15 | -6.938893903907228e-16 | PASS |
| Lz [step 50] | 7.711963005753913e-03 | 7.711963005751169e-03 | 3.770000000000000e-15 | 2.744332538995309e-15 | PASS |
| Lz [step 75] | 7.208133915096022e-02 | 7.208133915095838e-02 | 4.980000000000000e-15 | 1.845745778439323e-15 | PASS |
| Lz [step 100] | 5.119795103139983e-02 | 5.119795103139421e-02 | 6.180000000000000e-15 | 5.620504062164855e-15 | PASS |
| Q(-2)[step 1] | -4.545137052199737e+00 | -4.545137052199738e+00 | 4.550000000000000e-14 | 8.881784197001252e-16 | PASS |
| Q(-2)[step 25] | -4.611689024889118e+00 | -4.611689024889114e+00 | 4.610000000000000e-14 | -3.552713678800501e-15 | PASS |
| Q(-2)[step 50] | -4.687399335170592e+00 | -4.687399335170606e+00 | 4.690000000000000e-14 | 1.421085471520200e-14 | PASS |
| Q(-2)[step 75] | -4.392452781162857e+00 | -4.392452781162872e+00 | 4.390000000000000e-14 | 1.509903313490213e-14 | PASS |
| Q(-2)[step 100] | -4.181650669192814e+00 | -4.181650669192826e+00 | 4.180000000000000e-14 | 1.154631945610163e-14 | PASS |
| Q(-1)[step 1] | 4.178376177672447e+00 | 4.178376177672466e+00 | 4.180000000000000e-14 | -1.953992523340276e-14 | PASS |
| Q(-1)[step 25] | 4.182321698162387e+00 | 4.182321698162409e+00 | 4.180000000000000e-14 | -2.131628207280301e-14 | PASS |
| Q(-1)[step 50] | 4.130858161889458e+00 | 4.130858161889484e+00 | 4.130000000000000e-14 | -2.575717417130363e-14 | PASS |
| Q(-1)[step 75] | 4.065033937225651e+00 | 4.065033937225686e+00 | 5.570000000000000e-14 | -3.552713678800501e-14 | PASS |
| Q(-1)[step 100] | 4.091905451310797e+00 | 4.091905451310831e+00 | 4.930000000000000e-14 | -3.375077994860476e-14 | PASS |
| Q( 0)[step 1] | -7.137538347499741e+00 | -7.137538347499744e+00 | 7.140000000000000e-14 | 2.664535259100376e-15 | PASS |
| Q( 0)[step 25] | -7.469859326094133e+00 | -7.469859326094152e+00 | 7.470000000000000e-14 | 1.953992523340276e-14 | PASS |
| Q( 0)[step 50] | -7.808671887849131e+00 | -7.808671887849136e+00 | 7.810000000000000e-14 | 5.329070518200751e-15 | PASS |
| Q( 0)[step 75] | -7.739382942403777e+00 | -7.739382942403811e+00 | 7.740000000000000e-14 | 3.375077994860476e-14 | PASS |
| Q( 0)[step 100] | -7.647990088222079e+00 | -7.647990088222071e+00 | 7.650000000000000e-14 | -7.105427357601002e-15 | PASS |
| Q( 1)[step 1] | -4.826117320427199e+00 | -4.826117320427213e+00 | 4.830000000000000e-14 | 1.421085471520200e-14 | PASS |
| Q( 1)[step 25] | -4.732913015579482e+00 | -4.732913015579491e+00 | 4.730000000000000e-14 | 8.881784197001252e-15 | PASS |
| Q( 1)[step 50] | -4.489482808607187e+00 | -4.489482808607196e+00 | 4.490000000000000e-14 | 8.881784197001252e-15 | PASS |
| Q( 1)[step 75] | -4.327506057884659e+00 | -4.327506057884650e+00 | 2.160000000000000e-13 | -8.881784197001252e-15 | PASS |
| Q( 1)[step 100] | -4.287562118473175e+00 | -4.287562118473162e+00 | 4.290000000000000e-14 | -1.243449787580175e-14 | PASS |
| Q( 2)[step 1] | 1.189093351652639e+01 | 1.189093351652641e+01 | 1.190000000000000e-13 | -1.598721155460225e-14 | PASS |
| Q( 2)[step 25] | 1.233960581602607e+01 | 1.233960581602611e+01 | 1.230000000000000e-13 | -4.263256414560601e-14 | PASS |
| Q( 2)[step 50] | 1.278020792727984e+01 | 1.278020792727984e+01 | 1.280000000000000e-13 | 1.776356839400250e-15 | PASS |
| Q( 2)[step 75] | 1.272940184332373e+01 | 1.272940184332372e+01 | 1.270000000000000e-13 | 5.329070518200751e-15 | PASS |
| Q( 2)[step 100] | 1.255124012540243e+01 | 1.255124012540242e+01 | 1.260000000000000e-13 | 8.881784197001252e-15 | PASS |