Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cmake: [foss2022a-serial, foss-min]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589531e+01 -2.319596313589528e+01 2.320000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 25] -2.306769742300148e+01 -2.306769742300152e+01 2.310000000000000e-13 3.552713678800501e-14 PASS
Energy [step 50] -2.306775467891820e+01 -2.306775467891822e+01 2.310000000000000e-13 2.131628207280301e-14 PASS
Energy [step 75] -2.306781599419035e+01 -2.306781599419036e+01 2.310000000000000e-13 7.105427357601002e-15 PASS
Energy [step 100] -2.306787047809808e+01 -2.306787047809808e+01 2.310000000000000e-13 3.552713678800501e-15 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379020381176237e-02 4.379020381176082e-02 3.240000000000000e-15 1.547373340571312e-15 PASS
Lx [step 50] 7.224735351253423e-03 7.224735351252857e-03 5.220000000000000e-15 5.663872149064275e-16 PASS
Lx [step 75] -1.948219859188608e-02 -1.948219859188698e-02 5.000000000000000e-15 8.985867605559861e-16 PASS
Lx [step 100] -3.047272914508760e-02 -3.047272914508759e-02 4.720000000000000e-15 -6.938893903907228e-18 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184679143626835e-02 -7.184679143626962e-02 1.000000000000000e-14 1.276756478318930e-15 PASS
Ly [step 50] -7.123199186356489e-03 -7.123199186356521e-03 1.000000000000000e-14 3.122502256758253e-17 PASS
Ly [step 75] -4.172388260207040e-02 -4.172388260206918e-02 1.000000000000000e-14 -1.214306433183765e-15 PASS
Ly [step 100] -5.777039641925539e-02 -5.777039641925555e-02 1.000000000000000e-14 1.595945597898663e-16 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] 7.711963005753282e-03 7.711963005751169e-03 3.770000000000000e-15 2.112893193739751e-15 PASS
Lz [step 75] 7.208133915096038e-02 7.208133915095838e-02 4.980000000000000e-15 1.998401444325282e-15 PASS
Lz [step 100] 5.119795103139704e-02 5.119795103139421e-02 6.180000000000000e-15 2.831068712794149e-15 PASS
Q(-2)[step 1] -4.545137052199731e+00 -4.545137052199738e+00 4.550000000000000e-14 7.105427357601002e-15 PASS
Q(-2)[step 25] -4.611689024889122e+00 -4.611689024889114e+00 4.610000000000000e-14 -7.993605777301127e-15 PASS
Q(-2)[step 50] -4.687399335170590e+00 -4.687399335170606e+00 4.690000000000000e-14 1.598721155460225e-14 PASS
Q(-2)[step 75] -4.392452781162864e+00 -4.392452781162872e+00 4.390000000000000e-14 7.993605777301127e-15 PASS
Q(-2)[step 100] -4.181650669192825e+00 -4.181650669192826e+00 4.180000000000000e-14 8.881784197001252e-16 PASS
Q(-1)[step 1] 4.178376177672456e+00 4.178376177672466e+00 4.180000000000000e-14 -1.065814103640150e-14 PASS
Q(-1)[step 25] 4.182321698162395e+00 4.182321698162409e+00 4.180000000000000e-14 -1.421085471520200e-14 PASS
Q(-1)[step 50] 4.130858161889459e+00 4.130858161889484e+00 4.130000000000000e-14 -2.486899575160351e-14 PASS
Q(-1)[step 75] 4.065033937225662e+00 4.065033937225686e+00 5.570000000000000e-14 -2.398081733190338e-14 PASS
Q(-1)[step 100] 4.091905451310804e+00 4.091905451310831e+00 4.930000000000000e-14 -2.753353101070388e-14 PASS
Q( 0)[step 1] -7.137538347499751e+00 -7.137538347499744e+00 7.140000000000000e-14 -7.105427357601002e-15 PASS
Q( 0)[step 25] -7.469859326094156e+00 -7.469859326094152e+00 7.470000000000000e-14 -3.552713678800501e-15 PASS
Q( 0)[step 50] -7.808671887849137e+00 -7.808671887849136e+00 7.810000000000000e-14 -8.881784197001252e-16 PASS
Q( 0)[step 75] -7.739382942403781e+00 -7.739382942403811e+00 7.740000000000000e-14 3.019806626980426e-14 PASS
Q( 0)[step 100] -7.647990088222074e+00 -7.647990088222071e+00 7.650000000000000e-14 -2.664535259100376e-15 PASS
Q( 1)[step 1] -4.826117320427195e+00 -4.826117320427213e+00 4.830000000000000e-14 1.776356839400250e-14 PASS
Q( 1)[step 25] -4.732913015579485e+00 -4.732913015579491e+00 4.730000000000000e-14 5.329070518200751e-15 PASS
Q( 1)[step 50] -4.489482808607185e+00 -4.489482808607196e+00 4.490000000000000e-14 1.065814103640150e-14 PASS
Q( 1)[step 75] -4.327506057884665e+00 -4.327506057884650e+00 2.160000000000000e-13 -1.421085471520200e-14 PASS
Q( 1)[step 100] -4.287562118473179e+00 -4.287562118473162e+00 4.290000000000000e-14 -1.687538997430238e-14 PASS
Q( 2)[step 1] 1.189093351652640e+01 1.189093351652641e+01 1.190000000000000e-13 -5.329070518200751e-15 PASS
Q( 2)[step 25] 1.233960581602609e+01 1.233960581602611e+01 1.230000000000000e-13 -2.309263891220326e-14 PASS
Q( 2)[step 50] 1.278020792727985e+01 1.278020792727984e+01 1.280000000000000e-13 1.065814103640150e-14 PASS
Q( 2)[step 75] 1.272940184332374e+01 1.272940184332372e+01 1.270000000000000e-13 1.953992523340276e-14 PASS
Q( 2)[step 100] 1.255124012540242e+01 1.255124012540242e+01 1.260000000000000e-13 5.329070518200751e-15 PASS
Compare to other inputs