Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589527e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 25] | -2.306769742300157e+01 | -2.306769742300152e+01 | 2.310000000000000e-13 | -4.618527782440651e-14 | PASS |
| Energy [step 50] | -2.306775467891832e+01 | -2.306775467891822e+01 | 2.310000000000000e-13 | -9.592326932761353e-14 | PASS |
| Energy [step 75] | -2.306781599419029e+01 | -2.306781599419036e+01 | 2.310000000000000e-13 | 6.750155989720952e-14 | PASS |
| Energy [step 100] | -2.306787047809819e+01 | -2.306787047809808e+01 | 2.310000000000000e-13 | -1.065814103640150e-13 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379020381176249e-02 | 4.379020381176082e-02 | 3.240000000000000e-15 | 1.665334536937735e-15 | PASS |
| Lx [step 50] | 7.224735351252592e-03 | 7.224735351252857e-03 | 5.220000000000000e-15 | -2.645453300864631e-16 | PASS |
| Lx [step 75] | -1.948219859188489e-02 | -1.948219859188698e-02 | 5.000000000000000e-15 | 2.085137618124122e-15 | PASS |
| Lx [step 100] | -3.047272914508600e-02 | -3.047272914508759e-02 | 4.720000000000000e-15 | 1.595945597898663e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184679143626858e-02 | -7.184679143626962e-02 | 1.000000000000000e-14 | 1.040834085586084e-15 | PASS |
| Ly [step 50] | -7.123199186358495e-03 | -7.123199186356521e-03 | 1.000000000000000e-14 | -1.974115315661606e-15 | PASS |
| Ly [step 75] | -4.172388260206897e-02 | -4.172388260206918e-02 | 1.000000000000000e-14 | 2.081668171172169e-16 | PASS |
| Ly [step 100] | -5.777039641925991e-02 | -5.777039641925555e-02 | 1.000000000000000e-14 | -4.364564265557647e-15 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.756003875546573e-02 | -9.756003875546621e-02 | 5.380000000000000e-15 | 4.718447854656915e-16 | PASS |
| Lz [step 50] | 7.711963005754600e-03 | 7.711963005751169e-03 | 3.770000000000000e-15 | 3.431283035482124e-15 | PASS |
| Lz [step 75] | 7.208133915096004e-02 | 7.208133915095838e-02 | 4.980000000000000e-15 | 1.665334536937735e-15 | PASS |
| Lz [step 100] | 5.119795103139323e-02 | 5.119795103139421e-02 | 6.180000000000000e-15 | -9.853229343548264e-16 | PASS |
| Q(-2)[step 1] | -4.545137052199735e+00 | -4.545137052199738e+00 | 4.550000000000000e-14 | 3.552713678800501e-15 | PASS |
| Q(-2)[step 25] | -4.611689024889130e+00 | -4.611689024889114e+00 | 4.610000000000000e-14 | -1.598721155460225e-14 | PASS |
| Q(-2)[step 50] | -4.687399335170604e+00 | -4.687399335170606e+00 | 4.690000000000000e-14 | 1.776356839400250e-15 | PASS |
| Q(-2)[step 75] | -4.392452781162887e+00 | -4.392452781162872e+00 | 4.390000000000000e-14 | -1.509903313490213e-14 | PASS |
| Q(-2)[step 100] | -4.181650669192830e+00 | -4.181650669192826e+00 | 4.180000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q(-1)[step 1] | 4.178376177672462e+00 | 4.178376177672466e+00 | 4.180000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q(-1)[step 25] | 4.182321698162401e+00 | 4.182321698162409e+00 | 4.180000000000000e-14 | -7.993605777301127e-15 | PASS |
| Q(-1)[step 50] | 4.130858161889469e+00 | 4.130858161889484e+00 | 4.130000000000000e-14 | -1.509903313490213e-14 | PASS |
| Q(-1)[step 75] | 4.065033937225680e+00 | 4.065033937225686e+00 | 5.570000000000000e-14 | -6.217248937900877e-15 | PASS |
| Q(-1)[step 100] | 4.091905451310820e+00 | 4.091905451310831e+00 | 4.930000000000000e-14 | -1.065814103640150e-14 | PASS |
| Q( 0)[step 1] | -7.137538347499766e+00 | -7.137538347499744e+00 | 7.140000000000000e-14 | -2.220446049250313e-14 | PASS |
| Q( 0)[step 25] | -7.469859326094170e+00 | -7.469859326094152e+00 | 7.470000000000000e-14 | -1.776356839400250e-14 | PASS |
| Q( 0)[step 50] | -7.808671887849153e+00 | -7.808671887849136e+00 | 7.810000000000000e-14 | -1.687538997430238e-14 | PASS |
| Q( 0)[step 75] | -7.739382942403791e+00 | -7.739382942403811e+00 | 7.740000000000000e-14 | 1.953992523340276e-14 | PASS |
| Q( 0)[step 100] | -7.647990088222078e+00 | -7.647990088222071e+00 | 7.650000000000000e-14 | -6.217248937900877e-15 | PASS |
| Q( 1)[step 1] | -4.826117320427211e+00 | -4.826117320427213e+00 | 4.830000000000000e-14 | 1.776356839400250e-15 | PASS |
| Q( 1)[step 25] | -4.732913015579481e+00 | -4.732913015579491e+00 | 4.730000000000000e-14 | 9.769962616701378e-15 | PASS |
| Q( 1)[step 50] | -4.489482808607198e+00 | -4.489482808607196e+00 | 4.490000000000000e-14 | -1.776356839400250e-15 | PASS |
| Q( 1)[step 75] | -4.327506057884658e+00 | -4.327506057884650e+00 | 2.160000000000000e-13 | -7.105427357601002e-15 | PASS |
| Q( 1)[step 100] | -4.287562118473167e+00 | -4.287562118473162e+00 | 4.290000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q( 2)[step 1] | 1.189093351652639e+01 | 1.189093351652641e+01 | 1.190000000000000e-13 | -1.776356839400250e-14 | PASS |
| Q( 2)[step 25] | 1.233960581602608e+01 | 1.233960581602611e+01 | 1.230000000000000e-13 | -2.486899575160351e-14 | PASS |
| Q( 2)[step 50] | 1.278020792727985e+01 | 1.278020792727984e+01 | 1.280000000000000e-13 | 1.243449787580175e-14 | PASS |
| Q( 2)[step 75] | 1.272940184332374e+01 | 1.272940184332372e+01 | 1.270000000000000e-13 | 1.598721155460225e-14 | PASS |
| Q( 2)[step 100] | 1.255124012540242e+01 | 1.255124012540242e+01 | 1.260000000000000e-13 | 5.329070518200751e-15 | PASS |