Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -2.319596313589533e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -4.618527782440651e-14 | PASS |
| Energy [step 25] | -2.306769742300153e+01 | -2.306769742300152e+01 | 2.310000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 50] | -2.306775467891829e+01 | -2.306775467891822e+01 | 2.310000000000000e-13 | -6.750155989720952e-14 | PASS |
| Energy [step 75] | -2.306781599419039e+01 | -2.306781599419036e+01 | 2.310000000000000e-13 | -2.486899575160351e-14 | PASS |
| Energy [step 100] | -2.306787047809815e+01 | -2.306787047809808e+01 | 2.310000000000000e-13 | -7.105427357601002e-14 | PASS |
| Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lx [step 25] | 4.379020381176043e-02 | 4.379020381176082e-02 | 3.240000000000000e-15 | -3.955169525227120e-16 | PASS |
| Lx [step 50] | 7.224735351250525e-03 | 7.224735351252857e-03 | 5.220000000000000e-15 | -2.332335713450817e-15 | PASS |
| Lx [step 75] | -1.948219859188649e-02 | -1.948219859188698e-02 | 5.000000000000000e-15 | 4.891920202254596e-16 | PASS |
| Lx [step 100] | -3.047272914509021e-02 | -3.047272914508759e-02 | 4.720000000000000e-15 | -2.615963001773025e-15 | PASS |
| Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
| Ly [step 25] | -7.184679143626785e-02 | -7.184679143626962e-02 | 1.000000000000000e-14 | 1.776356839400250e-15 | PASS |
| Ly [step 50] | -7.123199186358078e-03 | -7.123199186356521e-03 | 1.000000000000000e-14 | -1.557781681427173e-15 | PASS |
| Ly [step 75] | -4.172388260206693e-02 | -4.172388260206918e-02 | 1.000000000000000e-14 | 2.255140518769849e-15 | PASS |
| Ly [step 100] | -5.777039641925998e-02 | -5.777039641925555e-02 | 1.000000000000000e-14 | -4.433953204596719e-15 | PASS |
| Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Lz [step 25] | -9.756003875546493e-02 | -9.756003875546621e-02 | 5.380000000000000e-15 | 1.276756478318930e-15 | PASS |
| Lz [step 50] | 7.711963005753424e-03 | 7.711963005751169e-03 | 3.770000000000000e-15 | 2.255140518769849e-15 | PASS |
| Lz [step 75] | 7.208133915095433e-02 | 7.208133915095838e-02 | 4.980000000000000e-15 | -4.052314039881821e-15 | PASS |
| Lz [step 100] | 5.119795103138928e-02 | 5.119795103139421e-02 | 6.180000000000000e-15 | -4.933553565678039e-15 | PASS |
| Q(-2)[step 1] | -4.545137052199738e+00 | -4.545137052199738e+00 | 4.550000000000000e-14 | 0.000000000000000e+00 | PASS |
| Q(-2)[step 25] | -4.611689024889128e+00 | -4.611689024889114e+00 | 4.610000000000000e-14 | -1.421085471520200e-14 | PASS |
| Q(-2)[step 50] | -4.687399335170610e+00 | -4.687399335170606e+00 | 4.690000000000000e-14 | -4.440892098500626e-15 | PASS |
| Q(-2)[step 75] | -4.392452781162877e+00 | -4.392452781162872e+00 | 4.390000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q(-2)[step 100] | -4.181650669192837e+00 | -4.181650669192826e+00 | 4.180000000000000e-14 | -1.065814103640150e-14 | PASS |
| Q(-1)[step 1] | 4.178376177672463e+00 | 4.178376177672466e+00 | 4.180000000000000e-14 | -3.552713678800501e-15 | PASS |
| Q(-1)[step 25] | 4.182321698162403e+00 | 4.182321698162409e+00 | 4.180000000000000e-14 | -6.217248937900877e-15 | PASS |
| Q(-1)[step 50] | 4.130858161889479e+00 | 4.130858161889484e+00 | 4.130000000000000e-14 | -5.329070518200751e-15 | PASS |
| Q(-1)[step 75] | 4.065033937225702e+00 | 4.065033937225686e+00 | 5.570000000000000e-14 | 1.598721155460225e-14 | PASS |
| Q(-1)[step 100] | 4.091905451310854e+00 | 4.091905451310831e+00 | 4.930000000000000e-14 | 2.309263891220326e-14 | PASS |
| Q( 0)[step 1] | -7.137538347499768e+00 | -7.137538347499744e+00 | 7.140000000000000e-14 | -2.398081733190338e-14 | PASS |
| Q( 0)[step 25] | -7.469859326094191e+00 | -7.469859326094152e+00 | 7.470000000000000e-14 | -3.907985046680551e-14 | PASS |
| Q( 0)[step 50] | -7.808671887849175e+00 | -7.808671887849136e+00 | 7.810000000000000e-14 | -3.907985046680551e-14 | PASS |
| Q( 0)[step 75] | -7.739382942403787e+00 | -7.739382942403811e+00 | 7.740000000000000e-14 | 2.398081733190338e-14 | PASS |
| Q( 0)[step 100] | -7.647990088222056e+00 | -7.647990088222071e+00 | 7.650000000000000e-14 | 1.598721155460225e-14 | PASS |
| Q( 1)[step 1] | -4.826117320427231e+00 | -4.826117320427213e+00 | 4.830000000000000e-14 | -1.776356839400250e-14 | PASS |
| Q( 1)[step 25] | -4.732913015579508e+00 | -4.732913015579491e+00 | 4.730000000000000e-14 | -1.776356839400250e-14 | PASS |
| Q( 1)[step 50] | -4.489482808607213e+00 | -4.489482808607196e+00 | 4.490000000000000e-14 | -1.687538997430238e-14 | PASS |
| Q( 1)[step 75] | -4.327506057884664e+00 | -4.327506057884650e+00 | 2.160000000000000e-13 | -1.332267629550188e-14 | PASS |
| Q( 1)[step 100] | -4.287562118473183e+00 | -4.287562118473162e+00 | 4.290000000000000e-14 | -2.042810365310288e-14 | PASS |
| Q( 2)[step 1] | 1.189093351652638e+01 | 1.189093351652641e+01 | 1.190000000000000e-13 | -2.842170943040401e-14 | PASS |
| Q( 2)[step 25] | 1.233960581602608e+01 | 1.233960581602611e+01 | 1.230000000000000e-13 | -2.664535259100376e-14 | PASS |
| Q( 2)[step 50] | 1.278020792727986e+01 | 1.278020792727984e+01 | 1.280000000000000e-13 | 1.421085471520200e-14 | PASS |
| Q( 2)[step 75] | 1.272940184332373e+01 | 1.272940184332372e+01 | 1.270000000000000e-13 | 5.329070518200751e-15 | PASS |
| Q( 2)[step 100] | 1.255124012540242e+01 | 1.255124012540242e+01 | 1.260000000000000e-13 | 0.000000000000000e+00 | PASS |