Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589534e+01 -2.319596313589528e+01 2.320000000000000e-13 -5.684341886080801e-14 PASS
Energy [step 25] -2.306769742300152e+01 -2.306769742300152e+01 2.310000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 50] -2.306775467891830e+01 -2.306775467891822e+01 2.310000000000000e-13 -8.171241461241152e-14 PASS
Energy [step 75] -2.306781599419037e+01 -2.306781599419036e+01 2.310000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 100] -2.306787047809814e+01 -2.306787047809808e+01 2.310000000000000e-13 -6.394884621840902e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379020381176105e-02 4.379020381176082e-02 3.240000000000000e-15 2.220446049250313e-16 PASS
Lx [step 50] 7.224735351250372e-03 7.224735351252857e-03 5.220000000000000e-15 -2.484991379336776e-15 PASS
Lx [step 75] -1.948219859188363e-02 -1.948219859188698e-02 5.000000000000000e-15 3.348016308635238e-15 PASS
Lx [step 100] -3.047272914508663e-02 -3.047272914508759e-02 4.720000000000000e-15 9.575673587391975e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184679143626674e-02 -7.184679143626962e-02 1.000000000000000e-14 2.886579864025407e-15 PASS
Ly [step 50] -7.123199186360479e-03 -7.123199186356521e-03 1.000000000000000e-14 -3.958638972179074e-15 PASS
Ly [step 75] -4.172388260207027e-02 -4.172388260206918e-02 1.000000000000000e-14 -1.082467449009528e-15 PASS
Ly [step 100] -5.777039641925640e-02 -5.777039641925555e-02 1.000000000000000e-14 -8.465450562766819e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756003875546491e-02 -9.756003875546621e-02 5.380000000000000e-15 1.290634266126744e-15 PASS
Lz [step 50] 7.711963005753757e-03 7.711963005751169e-03 3.770000000000000e-15 2.588207426157396e-15 PASS
Lz [step 75] 7.208133915095408e-02 7.208133915095838e-02 4.980000000000000e-15 -4.302114220422482e-15 PASS
Lz [step 100] 5.119795103139109e-02 5.119795103139421e-02 6.180000000000000e-15 -3.122502256758253e-15 PASS
Q(-2)[step 1] -4.545137052199737e+00 -4.545137052199738e+00 4.550000000000000e-14 8.881784197001252e-16 PASS
Q(-2)[step 25] -4.611689024889140e+00 -4.611689024889114e+00 4.610000000000000e-14 -2.575717417130363e-14 PASS
Q(-2)[step 50] -4.687399335170610e+00 -4.687399335170606e+00 4.690000000000000e-14 -4.440892098500626e-15 PASS
Q(-2)[step 75] -4.392452781162880e+00 -4.392452781162872e+00 4.390000000000000e-14 -7.993605777301127e-15 PASS
Q(-2)[step 100] -4.181650669192838e+00 -4.181650669192826e+00 4.180000000000000e-14 -1.243449787580175e-14 PASS
Q(-1)[step 1] 4.178376177672448e+00 4.178376177672466e+00 4.180000000000000e-14 -1.865174681370263e-14 PASS
Q(-1)[step 25] 4.182321698162399e+00 4.182321698162409e+00 4.180000000000000e-14 -9.769962616701378e-15 PASS
Q(-1)[step 50] 4.130858161889474e+00 4.130858161889484e+00 4.130000000000000e-14 -9.769962616701378e-15 PASS
Q(-1)[step 75] 4.065033937225700e+00 4.065033937225686e+00 5.570000000000000e-14 1.421085471520200e-14 PASS
Q(-1)[step 100] 4.091905451310837e+00 4.091905451310831e+00 4.930000000000000e-14 6.217248937900877e-15 PASS
Q( 0)[step 1] -7.137538347499755e+00 -7.137538347499744e+00 7.140000000000000e-14 -1.154631945610163e-14 PASS
Q( 0)[step 25] -7.469859326094173e+00 -7.469859326094152e+00 7.470000000000000e-14 -2.042810365310288e-14 PASS
Q( 0)[step 50] -7.808671887849170e+00 -7.808671887849136e+00 7.810000000000000e-14 -3.375077994860476e-14 PASS
Q( 0)[step 75] -7.739382942403785e+00 -7.739382942403811e+00 7.740000000000000e-14 2.575717417130363e-14 PASS
Q( 0)[step 100] -7.647990088222049e+00 -7.647990088222071e+00 7.650000000000000e-14 2.220446049250313e-14 PASS
Q( 1)[step 1] -4.826117320427216e+00 -4.826117320427213e+00 4.830000000000000e-14 -3.552713678800501e-15 PASS
Q( 1)[step 25] -4.732913015579492e+00 -4.732913015579491e+00 4.730000000000000e-14 -1.776356839400250e-15 PASS
Q( 1)[step 50] -4.489482808607198e+00 -4.489482808607196e+00 4.490000000000000e-14 -1.776356839400250e-15 PASS
Q( 1)[step 75] -4.327506057884657e+00 -4.327506057884650e+00 2.160000000000000e-13 -6.217248937900877e-15 PASS
Q( 1)[step 100] -4.287562118473172e+00 -4.287562118473162e+00 4.290000000000000e-14 -9.769962616701378e-15 PASS
Q( 2)[step 1] 1.189093351652638e+01 1.189093351652641e+01 1.190000000000000e-13 -2.664535259100376e-14 PASS
Q( 2)[step 25] 1.233960581602608e+01 1.233960581602611e+01 1.230000000000000e-13 -3.197442310920451e-14 PASS
Q( 2)[step 50] 1.278020792727985e+01 1.278020792727984e+01 1.280000000000000e-13 1.243449787580175e-14 PASS
Q( 2)[step 75] 1.272940184332373e+01 1.272940184332372e+01 1.270000000000000e-13 7.105427357601002e-15 PASS
Q( 2)[step 100] 1.255124012540241e+01 1.255124012540242e+01 1.260000000000000e-13 -1.065814103640150e-14 PASS
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