Input 09-angular_momentum.02-td_gipaw.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] | -2.319596313589530e+01 | -2.319596313589528e+01 | 2.320000000000000e-13 | -2.131628207280301e-14 | PASS |
Energy [step 25] | -2.306769742300151e+01 | -2.306769742300152e+01 | 2.310000000000000e-13 | 7.105427357601002e-15 | PASS |
Energy [step 50] | -2.306775467891819e+01 | -2.306775467891822e+01 | 2.310000000000000e-13 | 2.842170943040401e-14 | PASS |
Energy [step 75] | -2.306781599419035e+01 | -2.306781599419036e+01 | 2.310000000000000e-13 | 1.065814103640150e-14 | PASS |
Energy [step 100] | -2.306787047809809e+01 | -2.306787047809808e+01 | 2.310000000000000e-13 | -7.105427357601002e-15 | PASS |
Lx [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lx [step 25] | 4.379020381175887e-02 | 4.379020381176082e-02 | 3.240000000000000e-15 | -1.956768080901838e-15 | PASS |
Lx [step 50] | 7.224735351255675e-03 | 7.224735351252857e-03 | 5.220000000000000e-15 | 2.818058286724323e-15 | PASS |
Lx [step 75] | -1.948219859188243e-02 | -1.948219859188698e-02 | 5.000000000000000e-15 | 4.548444954011188e-15 | PASS |
Lx [step 100] | -3.047272914508956e-02 | -3.047272914508759e-02 | 4.720000000000000e-15 | -1.967176421757699e-15 | PASS |
Ly [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-14 | 0.000000000000000e+00 | PASS |
Ly [step 25] | -7.184679143627212e-02 | -7.184679143626962e-02 | 1.000000000000000e-14 | -2.498001805406602e-15 | PASS |
Ly [step 50] | -7.123199186352555e-03 | -7.123199186356521e-03 | 1.000000000000000e-14 | 3.965577866082981e-15 | PASS |
Ly [step 75] | -4.172388260207015e-02 | -4.172388260206918e-02 | 1.000000000000000e-14 | -9.645062526431047e-16 | PASS |
Ly [step 100] | -5.777039641925952e-02 | -5.777039641925555e-02 | 1.000000000000000e-14 | -3.969047313034935e-15 | PASS |
Lz [step 1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Lz [step 25] | -9.756003875546455e-02 | -9.756003875546621e-02 | 5.380000000000000e-15 | 1.651456749129920e-15 | PASS |
Lz [step 50] | 7.711963005751221e-03 | 7.711963005751169e-03 | 3.770000000000000e-15 | 5.204170427930421e-17 | PASS |
Lz [step 75] | 7.208133915095423e-02 | 7.208133915095838e-02 | 4.980000000000000e-15 | -4.149458554536523e-15 | PASS |
Lz [step 100] | 5.119795103139468e-02 | 5.119795103139421e-02 | 6.180000000000000e-15 | 4.649058915617843e-16 | PASS |
Q(-2)[step 1] | -4.545137052199746e+00 | -4.545137052199738e+00 | 4.550000000000000e-14 | -7.993605777301127e-15 | PASS |
Q(-2)[step 25] | -4.611689024889131e+00 | -4.611689024889114e+00 | 4.610000000000000e-14 | -1.687538997430238e-14 | PASS |
Q(-2)[step 50] | -4.687399335170617e+00 | -4.687399335170606e+00 | 4.690000000000000e-14 | -1.065814103640150e-14 | PASS |
Q(-2)[step 75] | -4.392452781162874e+00 | -4.392452781162872e+00 | 4.390000000000000e-14 | -1.776356839400250e-15 | PASS |
Q(-2)[step 100] | -4.181650669192822e+00 | -4.181650669192826e+00 | 4.180000000000000e-14 | 3.552713678800501e-15 | PASS |
Q(-1)[step 1] | 4.178376177672495e+00 | 4.178376177672466e+00 | 4.180000000000000e-14 | 2.930988785010413e-14 | PASS |
Q(-1)[step 25] | 4.182321698162442e+00 | 4.182321698162409e+00 | 4.180000000000000e-14 | 3.286260152890463e-14 | PASS |
Q(-1)[step 50] | 4.130858161889521e+00 | 4.130858161889484e+00 | 4.130000000000000e-14 | 3.730349362740526e-14 | PASS |
Q(-1)[step 75] | 4.065033937225737e+00 | 4.065033937225686e+00 | 5.570000000000000e-14 | 5.062616992290714e-14 | PASS |
Q(-1)[step 100] | 4.091905451310875e+00 | 4.091905451310831e+00 | 4.930000000000000e-14 | 4.440892098500626e-14 | PASS |
Q( 0)[step 1] | -7.137538347499755e+00 | -7.137538347499744e+00 | 7.140000000000000e-14 | -1.154631945610163e-14 | PASS |
Q( 0)[step 25] | -7.469859326094143e+00 | -7.469859326094152e+00 | 7.470000000000000e-14 | 8.881784197001252e-15 | PASS |
Q( 0)[step 50] | -7.808671887849154e+00 | -7.808671887849136e+00 | 7.810000000000000e-14 | -1.776356839400250e-14 | PASS |
Q( 0)[step 75] | -7.739382942403783e+00 | -7.739382942403811e+00 | 7.740000000000000e-14 | 2.753353101070388e-14 | PASS |
Q( 0)[step 100] | -7.647990088222048e+00 | -7.647990088222071e+00 | 7.650000000000000e-14 | 2.309263891220326e-14 | PASS |
Q( 1)[step 1] | -4.826117320427202e+00 | -4.826117320427213e+00 | 4.830000000000000e-14 | 1.065814103640150e-14 | PASS |
Q( 1)[step 25] | -4.732913015579491e+00 | -4.732913015579491e+00 | 4.730000000000000e-14 | 0.000000000000000e+00 | PASS |
Q( 1)[step 50] | -4.489482808607177e+00 | -4.489482808607196e+00 | 4.490000000000000e-14 | 1.865174681370263e-14 | PASS |
Q( 1)[step 75] | -4.327506057884619e+00 | -4.327506057884650e+00 | 2.160000000000000e-13 | 3.108624468950438e-14 | PASS |
Q( 1)[step 100] | -4.287562118473132e+00 | -4.287562118473162e+00 | 4.290000000000000e-14 | 3.019806626980426e-14 | PASS |
Q( 2)[step 1] | 1.189093351652644e+01 | 1.189093351652641e+01 | 1.190000000000000e-13 | 3.019806626980426e-14 | PASS |
Q( 2)[step 25] | 1.233960581602610e+01 | 1.233960581602611e+01 | 1.230000000000000e-13 | -5.329070518200751e-15 | PASS |
Q( 2)[step 50] | 1.278020792727990e+01 | 1.278020792727984e+01 | 1.280000000000000e-13 | 5.506706202140776e-14 | PASS |
Q( 2)[step 75] | 1.272940184332378e+01 | 1.272940184332372e+01 | 1.270000000000000e-13 | 5.506706202140776e-14 | PASS |
Q( 2)[step 100] | 1.255124012540245e+01 | 1.255124012540242e+01 | 1.260000000000000e-13 | 3.552713678800501e-14 | PASS |