Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086072e+01 -2.319580964086080e+01 1.160000000000000e-12 7.815970093361102e-14 PASS
Energy [step 25] -2.306754404347962e+01 -2.306754404347960e+01 1.150000000000000e-12 -1.776356839400250e-14 PASS
Energy [step 50] -2.306760129759904e+01 -2.306760129759910e+01 1.150000000000000e-13 6.394884621840902e-14 PASS
Energy [step 75] -2.306766261145399e+01 -2.306766261145400e+01 1.150000000000000e-11 1.065814103640150e-14 PASS
Energy [step 100] -2.306771709393755e+01 -2.306771709393760e+01 1.150000000000000e-12 5.329070518200751e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511445e-02 4.378813412511501e-02 5.110000000000000e-15 -5.551115123125783e-16 PASS
Lx [step 50] 7.223501819494368e-03 7.223501819495281e-03 5.350000000000000e-15 -9.124645483638005e-16 PASS
Lx [step 75] -1.948269821028796e-02 -1.948269821028625e-02 8.660000000000000e-15 -1.706967900361178e-15 PASS
Lx [step 100] -3.047203125192828e-02 -3.047203125192880e-02 6.000000000000000e-15 5.204170427930421e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808476e-02 -7.184641094808490e-02 4.130000000000000e-15 1.387778780781446e-16 PASS
Ly [step 50] -7.117769255689174e-03 -7.117769255689680e-03 6.500000000000000e-15 5.056718932472393e-16 PASS
Ly [step 75] -4.172081222576243e-02 -4.172081222576260e-02 5.850000000000000e-15 1.734723475976807e-16 PASS
Ly [step 100] -5.777213620121090e-02 -5.777213620121158e-02 9.120000000000000e-15 6.730727086790012e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043645281e-02 -9.756204043644941e-02 4.880000000000000e-15 -3.400058012914542e-15 PASS
Lz [step 50] 7.712993009736213e-03 7.712993009730000e-03 3.860000000000000e-13 6.212912129210935e-15 PASS
Lz [step 75] 7.208148635269873e-02 7.208148635269590e-02 8.660000000000000e-15 2.831068712794149e-15 PASS
Lz [step 100] 5.119310678838745e-02 5.119310678838490e-02 9.139999999999999e-15 2.546574062733953e-15 PASS
Q(-2)[step 1] -4.545099285100747e+00 -4.545099285100750e+00 2.270000000000000e-13 2.664535259100376e-15 PASS
Q(-2)[step 25] -4.611640700089460e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.945999496745571e-11 PASS
Q(-2)[step 50] -4.687349753661743e+00 -4.687349753662680e+00 1.000000000000000e-12 9.370282327836321e-13 PASS
Q(-2)[step 75] -4.392410657028171e+00 -4.392410657028165e+00 4.390000000000000e-14 -6.217248937900877e-15 PASS
Q(-2)[step 100] -4.181622432525400e+00 -4.181622432525399e+00 4.180000000000000e-14 -8.881784197001252e-16 PASS
Q(-1)[step 1] 4.178298639726174e+00 4.178298639726180e+00 2.090000000000000e-13 -6.217248937900877e-15 PASS
Q(-1)[step 25] 4.182239910020074e+00 4.182239910020090e+00 2.090000000000000e-13 -1.687538997430238e-14 PASS
Q(-1)[step 50] 4.130776137010013e+00 4.130776137010026e+00 4.130000000000000e-14 -1.243449787580175e-14 PASS
Q(-1)[step 75] 4.064950972547080e+00 4.064950972547106e+00 5.600000000000000e-14 -2.664535259100376e-14 PASS
Q(-1)[step 100] 4.091822670232389e+00 4.091822670233270e+00 1.000000000000000e-12 -8.810729923425242e-13 PASS
Q( 0)[step 1] -7.137608303968176e+00 -7.137608303968200e+00 3.570000000000000e-12 2.398081733190338e-14 PASS
Q( 0)[step 25] -7.469922011510183e+00 -7.469922011510200e+00 3.730000000000000e-13 1.687538997430238e-14 PASS
Q( 0)[step 50] -7.808731999289143e+00 -7.808731999289140e+00 3.900000000000000e-13 -2.664535259100376e-15 PASS
Q( 0)[step 75] -7.739446597993669e+00 -7.739446597993680e+00 3.870000000000000e-13 1.154631945610163e-14 PASS
Q( 0)[step 100] -7.648056564564816e+00 -7.648056564565430e+00 1.000000000000000e-12 6.146194664324867e-13 PASS
Q( 1)[step 1] -4.826111654801450e+00 -4.826111654803580e+00 2.370000000000000e-12 2.130740028860600e-12 PASS
Q( 1)[step 25] -4.732913242624223e+00 -4.732913242624240e+00 2.370000000000000e-13 1.687538997430238e-14 PASS
Q( 1)[step 50] -4.489489823162546e+00 -4.489489823162540e+00 2.240000000000000e-13 -6.217248937900877e-15 PASS
Q( 1)[step 75] -4.327519808485440e+00 -4.327519808485425e+00 4.590000000000000e-14 -1.509903313490213e-14 PASS
Q( 1)[step 100] -4.287582681175268e+00 -4.287582681175240e+00 2.140000000000000e-13 -2.753353101070388e-14 PASS
Q( 2)[step 1] 1.189101961133256e+01 1.189101961133255e+01 1.190000000000000e-13 7.105427357601002e-15 PASS
Q( 2)[step 25] 1.233968578911676e+01 1.233968578911680e+01 6.170000000000000e-13 -4.263256414560601e-14 PASS
Q( 2)[step 50] 1.278029271318788e+01 1.278029271318795e+01 1.280000000000000e-13 -7.283063041541027e-14 PASS
Q( 2)[step 75] 1.272948913185600e+01 1.272948913185600e+01 6.360000000000000e-12 -5.329070518200751e-15 PASS
Q( 2)[step 100] 1.255133064623370e+01 1.255133064623380e+01 6.280000000000001e-13 -1.012523398458143e-13 PASS
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