Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_cmake: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589530e+01 -2.319596313589528e+01 2.320000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 25] -2.306769742300156e+01 -2.306769742300152e+01 2.310000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 50] -2.306775467891828e+01 -2.306775467891822e+01 2.310000000000000e-13 -5.684341886080801e-14 PASS
Energy [step 75] -2.306781599419039e+01 -2.306781599419036e+01 2.310000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 100] -2.306787047809811e+01 -2.306787047809808e+01 2.310000000000000e-13 -3.552713678800501e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379020381175983e-02 4.379020381176082e-02 3.240000000000000e-15 -9.922618282587337e-16 PASS
Lx [step 50] 7.224735351253536e-03 7.224735351252857e-03 5.220000000000000e-15 6.791442408449200e-16 PASS
Lx [step 75] -1.948219859188471e-02 -1.948219859188698e-02 5.000000000000000e-15 2.265548859625710e-15 PASS
Lx [step 100] -3.047272914508733e-02 -3.047272914508759e-02 4.720000000000000e-15 2.636779683484747e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184679143626767e-02 -7.184679143626962e-02 1.000000000000000e-14 1.956768080901838e-15 PASS
Ly [step 50] -7.123199186360021e-03 -7.123199186356521e-03 1.000000000000000e-14 -3.500671974521197e-15 PASS
Ly [step 75] -4.172388260207053e-02 -4.172388260206918e-02 1.000000000000000e-14 -1.346145417358002e-15 PASS
Ly [step 100] -5.777039641925615e-02 -5.777039641925555e-02 1.000000000000000e-14 -6.036837696399289e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756003875546135e-02 -9.756003875546621e-02 5.380000000000000e-15 4.857225732735060e-15 PASS
Lz [step 50] 7.711963005752640e-03 7.711963005751169e-03 3.770000000000000e-15 1.471045507628332e-15 PASS
Lz [step 75] 7.208133915095648e-02 7.208133915095838e-02 4.980000000000000e-15 -1.901256929670581e-15 PASS
Lz [step 100] 5.119795103139300e-02 5.119795103139421e-02 6.180000000000000e-15 -1.214306433183765e-15 PASS
Q(-2)[step 1] -4.545137052199738e+00 -4.545137052199738e+00 4.550000000000000e-14 0.000000000000000e+00 PASS
Q(-2)[step 25] -4.611689024889135e+00 -4.611689024889114e+00 4.610000000000000e-14 -2.131628207280301e-14 PASS
Q(-2)[step 50] -4.687399335170611e+00 -4.687399335170606e+00 4.690000000000000e-14 -5.329070518200751e-15 PASS
Q(-2)[step 75] -4.392452781162879e+00 -4.392452781162872e+00 4.390000000000000e-14 -7.105427357601002e-15 PASS
Q(-2)[step 100] -4.181650669192827e+00 -4.181650669192826e+00 4.180000000000000e-14 -8.881784197001252e-16 PASS
Q(-1)[step 1] 4.178376177672448e+00 4.178376177672466e+00 4.180000000000000e-14 -1.776356839400250e-14 PASS
Q(-1)[step 25] 4.182321698162397e+00 4.182321698162409e+00 4.180000000000000e-14 -1.154631945610163e-14 PASS
Q(-1)[step 50] 4.130858161889474e+00 4.130858161889484e+00 4.130000000000000e-14 -9.769962616701378e-15 PASS
Q(-1)[step 75] 4.065033937225693e+00 4.065033937225686e+00 5.570000000000000e-14 7.105427357601002e-15 PASS
Q(-1)[step 100] 4.091905451310835e+00 4.091905451310831e+00 4.930000000000000e-14 4.440892098500626e-15 PASS
Q( 0)[step 1] -7.137538347499754e+00 -7.137538347499744e+00 7.140000000000000e-14 -9.769962616701378e-15 PASS
Q( 0)[step 25] -7.469859326094164e+00 -7.469859326094152e+00 7.470000000000000e-14 -1.154631945610163e-14 PASS
Q( 0)[step 50] -7.808671887849154e+00 -7.808671887849136e+00 7.810000000000000e-14 -1.776356839400250e-14 PASS
Q( 0)[step 75] -7.739382942403785e+00 -7.739382942403811e+00 7.740000000000000e-14 2.575717417130363e-14 PASS
Q( 0)[step 100] -7.647990088222059e+00 -7.647990088222071e+00 7.650000000000000e-14 1.243449787580175e-14 PASS
Q( 1)[step 1] -4.826117320427209e+00 -4.826117320427213e+00 4.830000000000000e-14 3.552713678800501e-15 PASS
Q( 1)[step 25] -4.732913015579489e+00 -4.732913015579491e+00 4.730000000000000e-14 1.776356839400250e-15 PASS
Q( 1)[step 50] -4.489482808607192e+00 -4.489482808607196e+00 4.490000000000000e-14 4.440892098500626e-15 PASS
Q( 1)[step 75] -4.327506057884648e+00 -4.327506057884650e+00 2.160000000000000e-13 2.664535259100376e-15 PASS
Q( 1)[step 100] -4.287562118473160e+00 -4.287562118473162e+00 4.290000000000000e-14 1.776356839400250e-15 PASS
Q( 2)[step 1] 1.189093351652639e+01 1.189093351652641e+01 1.190000000000000e-13 -1.953992523340276e-14 PASS
Q( 2)[step 25] 1.233960581602609e+01 1.233960581602611e+01 1.230000000000000e-13 -1.776356839400250e-14 PASS
Q( 2)[step 50] 1.278020792727986e+01 1.278020792727984e+01 1.280000000000000e-13 1.953992523340276e-14 PASS
Q( 2)[step 75] 1.272940184332374e+01 1.272940184332372e+01 1.270000000000000e-13 2.309263891220326e-14 PASS
Q( 2)[step 100] 1.255124012540242e+01 1.255124012540242e+01 1.260000000000000e-13 3.552713678800501e-15 PASS
Compare to other inputs