Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run intel-parallel: [intel2023a-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] -2.306769742300155e+01 -2.306769742300152e+01 2.310000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 50] -2.306775467891826e+01 -2.306775467891822e+01 2.310000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 75] -2.306781599419046e+01 -2.306781599419036e+01 2.310000000000000e-13 -9.947598300641403e-14 PASS
Energy [step 100] -2.306787047809819e+01 -2.306787047809808e+01 2.310000000000000e-13 -1.101341240428155e-13 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.379020381176110e-02 4.379020381176082e-02 3.240000000000000e-15 2.775557561562891e-16 PASS
Lx [step 50] 7.224735351250821e-03 7.224735351252857e-03 5.220000000000000e-15 -2.035697999058783e-15 PASS
Lx [step 75] -1.948219859188641e-02 -1.948219859188698e-02 5.000000000000000e-15 5.724587470723463e-16 PASS
Lx [step 100] -3.047272914508606e-02 -3.047272914508759e-02 4.720000000000000e-15 1.533495552763497e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-14 0.000000000000000e+00 PASS
Ly [step 25] -7.184679143626851e-02 -7.184679143626962e-02 1.000000000000000e-14 1.110223024625157e-15 PASS
Ly [step 50] -7.123199186356177e-03 -7.123199186356521e-03 1.000000000000000e-14 3.434752482434078e-16 PASS
Ly [step 75] -4.172388260206891e-02 -4.172388260206918e-02 1.000000000000000e-14 2.775557561562891e-16 PASS
Ly [step 100] -5.777039641925691e-02 -5.777039641925555e-02 1.000000000000000e-14 -1.360023205165817e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756003875547054e-02 -9.756003875546621e-02 5.380000000000000e-15 -4.329869796038111e-15 PASS
Lz [step 50] 7.711963005749445e-03 7.711963005751169e-03 3.770000000000000e-15 -1.724315135120946e-15 PASS
Lz [step 75] 7.208133915095710e-02 7.208133915095838e-02 4.980000000000000e-15 -1.276756478318930e-15 PASS
Lz [step 100] 5.119795103138818e-02 5.119795103139421e-02 6.180000000000000e-15 -6.029898802495381e-15 PASS
Q(-2)[step 1] -4.545137052199742e+00 -4.545137052199738e+00 4.550000000000000e-14 -3.552713678800501e-15 PASS
Q(-2)[step 25] -4.611689024889094e+00 -4.611689024889114e+00 4.610000000000000e-14 2.042810365310288e-14 PASS
Q(-2)[step 50] -4.687399335170614e+00 -4.687399335170606e+00 4.690000000000000e-14 -7.993605777301127e-15 PASS
Q(-2)[step 75] -4.392452781162866e+00 -4.392452781162872e+00 4.390000000000000e-14 5.329070518200751e-15 PASS
Q(-2)[step 100] -4.181650669192837e+00 -4.181650669192826e+00 4.180000000000000e-14 -1.065814103640150e-14 PASS
Q(-1)[step 1] 4.178376177672447e+00 4.178376177672466e+00 4.180000000000000e-14 -1.953992523340276e-14 PASS
Q(-1)[step 25] 4.182321698162379e+00 4.182321698162409e+00 4.180000000000000e-14 -3.019806626980426e-14 PASS
Q(-1)[step 50] 4.130858161889461e+00 4.130858161889484e+00 4.130000000000000e-14 -2.309263891220326e-14 PASS
Q(-1)[step 75] 4.065033937225657e+00 4.065033937225686e+00 5.570000000000000e-14 -2.930988785010413e-14 PASS
Q(-1)[step 100] 4.091905451310797e+00 4.091905451310831e+00 4.930000000000000e-14 -3.375077994860476e-14 PASS
Q( 0)[step 1] -7.137538347499732e+00 -7.137538347499744e+00 7.140000000000000e-14 1.154631945610163e-14 PASS
Q( 0)[step 25] -7.469859326094139e+00 -7.469859326094152e+00 7.470000000000000e-14 1.332267629550188e-14 PASS
Q( 0)[step 50] -7.808671887849113e+00 -7.808671887849136e+00 7.810000000000000e-14 2.309263891220326e-14 PASS
Q( 0)[step 75] -7.739382942403846e+00 -7.739382942403811e+00 7.740000000000000e-14 -3.463895836830488e-14 PASS
Q( 0)[step 100] -7.647990088222095e+00 -7.647990088222071e+00 7.650000000000000e-14 -2.309263891220326e-14 PASS
Q( 1)[step 1] -4.826117320427223e+00 -4.826117320427213e+00 4.830000000000000e-14 -1.065814103640150e-14 PASS
Q( 1)[step 25] -4.732913015579489e+00 -4.732913015579491e+00 4.730000000000000e-14 1.776356839400250e-15 PASS
Q( 1)[step 50] -4.489482808607204e+00 -4.489482808607196e+00 4.490000000000000e-14 -7.993605777301127e-15 PASS
Q( 1)[step 75] -4.327506057884676e+00 -4.327506057884650e+00 2.160000000000000e-13 -2.575717417130363e-14 PASS
Q( 1)[step 100] -4.287562118473196e+00 -4.287562118473162e+00 4.290000000000000e-14 -3.375077994860476e-14 PASS
Q( 2)[step 1] 1.189093351652640e+01 1.189093351652641e+01 1.190000000000000e-13 -1.065814103640150e-14 PASS
Q( 2)[step 25] 1.233960581602611e+01 1.233960581602611e+01 1.230000000000000e-13 3.552713678800501e-15 PASS
Q( 2)[step 50] 1.278020792727980e+01 1.278020792727984e+01 1.280000000000000e-13 -4.440892098500626e-14 PASS
Q( 2)[step 75] 1.272940184332368e+01 1.272940184332372e+01 1.270000000000000e-13 -4.085620730620576e-14 PASS
Q( 2)[step 100] 1.255124012540238e+01 1.255124012540242e+01 1.260000000000000e-13 -3.730349362740526e-14 PASS
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