Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319596313589527e+01 -2.319596313589528e+01 2.320000000000000e-13 7.105427357601002e-15 PASS
Energy [step 25] -2.306769742300157e+01 -2.306769742300152e+01 2.310000000000000e-13 -4.618527782440651e-14 PASS
Energy [step 50] -2.306775467891832e+01 -2.306775467891822e+01 2.310000000000000e-13 -9.592326932761353e-14 PASS
Energy [step 75] -2.306781599419029e+01 -2.306781599419036e+01 2.310000000000000e-13 6.750155989720952e-14 PASS
Energy [step 100] -2.306787047809819e+01 -2.306787047809808e+01 2.310000000000000e-13 -1.065814103640150e-13 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379020381176249e-02 4.379020381176082e-02 3.240000000000000e-15 1.665334536937735e-15 PASS
Lx [step 50] 7.224735351252592e-03 7.224735351252857e-03 5.220000000000000e-15 -2.645453300864631e-16 PASS
Lx [step 75] -1.948219859188489e-02 -1.948219859188698e-02 5.000000000000000e-15 2.085137618124122e-15 PASS
Lx [step 100] -3.047272914508600e-02 -3.047272914508759e-02 4.720000000000000e-15 1.595945597898663e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184679143626858e-02 -7.184679143626962e-02 1.000000000000000e-14 1.040834085586084e-15 PASS
Ly [step 50] -7.123199186358495e-03 -7.123199186356521e-03 1.000000000000000e-14 -1.974115315661606e-15 PASS
Ly [step 75] -4.172388260206897e-02 -4.172388260206918e-02 1.000000000000000e-14 2.081668171172169e-16 PASS
Ly [step 100] -5.777039641925991e-02 -5.777039641925555e-02 1.000000000000000e-14 -4.364564265557647e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756003875546573e-02 -9.756003875546621e-02 5.380000000000000e-15 4.718447854656915e-16 PASS
Lz [step 50] 7.711963005754600e-03 7.711963005751169e-03 3.770000000000000e-15 3.431283035482124e-15 PASS
Lz [step 75] 7.208133915096004e-02 7.208133915095838e-02 4.980000000000000e-15 1.665334536937735e-15 PASS
Lz [step 100] 5.119795103139323e-02 5.119795103139421e-02 6.180000000000000e-15 -9.853229343548264e-16 PASS
Q(-2)[step 1] -4.545137052199735e+00 -4.545137052199738e+00 4.550000000000000e-14 3.552713678800501e-15 PASS
Q(-2)[step 25] -4.611689024889130e+00 -4.611689024889114e+00 4.610000000000000e-14 -1.598721155460225e-14 PASS
Q(-2)[step 50] -4.687399335170604e+00 -4.687399335170606e+00 4.690000000000000e-14 1.776356839400250e-15 PASS
Q(-2)[step 75] -4.392452781162887e+00 -4.392452781162872e+00 4.390000000000000e-14 -1.509903313490213e-14 PASS
Q(-2)[step 100] -4.181650669192830e+00 -4.181650669192826e+00 4.180000000000000e-14 -4.440892098500626e-15 PASS
Q(-1)[step 1] 4.178376177672462e+00 4.178376177672466e+00 4.180000000000000e-14 -4.440892098500626e-15 PASS
Q(-1)[step 25] 4.182321698162401e+00 4.182321698162409e+00 4.180000000000000e-14 -7.993605777301127e-15 PASS
Q(-1)[step 50] 4.130858161889469e+00 4.130858161889484e+00 4.130000000000000e-14 -1.509903313490213e-14 PASS
Q(-1)[step 75] 4.065033937225680e+00 4.065033937225686e+00 5.570000000000000e-14 -6.217248937900877e-15 PASS
Q(-1)[step 100] 4.091905451310820e+00 4.091905451310831e+00 4.930000000000000e-14 -1.065814103640150e-14 PASS
Q( 0)[step 1] -7.137538347499766e+00 -7.137538347499744e+00 7.140000000000000e-14 -2.220446049250313e-14 PASS
Q( 0)[step 25] -7.469859326094170e+00 -7.469859326094152e+00 7.470000000000000e-14 -1.776356839400250e-14 PASS
Q( 0)[step 50] -7.808671887849153e+00 -7.808671887849136e+00 7.810000000000000e-14 -1.687538997430238e-14 PASS
Q( 0)[step 75] -7.739382942403791e+00 -7.739382942403811e+00 7.740000000000000e-14 1.953992523340276e-14 PASS
Q( 0)[step 100] -7.647990088222078e+00 -7.647990088222071e+00 7.650000000000000e-14 -6.217248937900877e-15 PASS
Q( 1)[step 1] -4.826117320427211e+00 -4.826117320427213e+00 4.830000000000000e-14 1.776356839400250e-15 PASS
Q( 1)[step 25] -4.732913015579481e+00 -4.732913015579491e+00 4.730000000000000e-14 9.769962616701378e-15 PASS
Q( 1)[step 50] -4.489482808607198e+00 -4.489482808607196e+00 4.490000000000000e-14 -1.776356839400250e-15 PASS
Q( 1)[step 75] -4.327506057884658e+00 -4.327506057884650e+00 2.160000000000000e-13 -7.105427357601002e-15 PASS
Q( 1)[step 100] -4.287562118473167e+00 -4.287562118473162e+00 4.290000000000000e-14 -4.440892098500626e-15 PASS
Q( 2)[step 1] 1.189093351652639e+01 1.189093351652641e+01 1.190000000000000e-13 -1.776356839400250e-14 PASS
Q( 2)[step 25] 1.233960581602608e+01 1.233960581602611e+01 1.230000000000000e-13 -2.486899575160351e-14 PASS
Q( 2)[step 50] 1.278020792727985e+01 1.278020792727984e+01 1.280000000000000e-13 1.243449787580175e-14 PASS
Q( 2)[step 75] 1.272940184332374e+01 1.272940184332372e+01 1.270000000000000e-13 1.598721155460225e-14 PASS
Q( 2)[step 100] 1.255124012540242e+01 1.255124012540242e+01 1.260000000000000e-13 5.329070518200751e-15 PASS
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