Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086079e+01 -2.319580964086080e+01 1.160000000000000e-12 1.421085471520200e-14 PASS
Energy [step 25] -2.306754404347964e+01 -2.306754404347960e+01 1.150000000000000e-12 -4.263256414560601e-14 PASS
Energy [step 50] -2.306760129759903e+01 -2.306760129759910e+01 1.150000000000000e-13 7.105427357601002e-14 PASS
Energy [step 75] -2.306766261145405e+01 -2.306766261145400e+01 1.150000000000000e-11 -5.329070518200751e-14 PASS
Energy [step 100] -2.306771709393762e+01 -2.306771709393760e+01 1.150000000000000e-12 -2.131628207280301e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511248e-02 4.378813412511501e-02 5.110000000000000e-15 -2.525757381022231e-15 PASS
Lx [step 50] 7.223501819494327e-03 7.223501819495281e-03 5.350000000000000e-15 -9.540979117872439e-16 PASS
Lx [step 75] -1.948269821028643e-02 -1.948269821028625e-02 8.660000000000000e-15 -1.804112415015879e-16 PASS
Lx [step 100] -3.047203125192530e-02 -3.047203125192880e-02 6.000000000000000e-15 3.504141421473150e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808485e-02 -7.184641094808490e-02 4.130000000000000e-15 5.551115123125783e-17 PASS
Ly [step 50] -7.117769255687093e-03 -7.117769255689680e-03 6.500000000000000e-15 2.587340064419408e-15 PASS
Ly [step 75] -4.172081222576142e-02 -4.172081222576260e-02 5.850000000000000e-15 1.179611963664229e-15 PASS
Ly [step 100] -5.777213620121098e-02 -5.777213620121158e-02 9.120000000000000e-15 5.967448757360216e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043645073e-02 -9.756204043644941e-02 4.880000000000000e-15 -1.318389841742373e-15 PASS
Lz [step 50] 7.712993009732372e-03 7.712993009730000e-03 3.860000000000000e-13 2.372234353398284e-15 PASS
Lz [step 75] 7.208148635269186e-02 7.208148635269590e-02 8.660000000000000e-15 -4.038436252074007e-15 PASS
Lz [step 100] 5.119310678838095e-02 5.119310678838490e-02 9.139999999999999e-15 -3.955169525227120e-15 PASS
Q(-2)[step 1] -4.545099285100761e+00 -4.545099285100750e+00 2.270000000000000e-13 -1.154631945610163e-14 PASS
Q(-2)[step 25] -4.611640700089466e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.946621221639361e-11 PASS
Q(-2)[step 50] -4.687349753661751e+00 -4.687349753662680e+00 1.000000000000000e-12 9.290346270063310e-13 PASS
Q(-2)[step 75] -4.392410657028171e+00 -4.392410657028165e+00 4.390000000000000e-14 -6.217248937900877e-15 PASS
Q(-2)[step 100] -4.181622432525406e+00 -4.181622432525399e+00 4.180000000000000e-14 -6.217248937900877e-15 PASS
Q(-1)[step 1] 4.178298639726163e+00 4.178298639726180e+00 2.090000000000000e-13 -1.776356839400250e-14 PASS
Q(-1)[step 25] 4.182239910020067e+00 4.182239910020090e+00 2.090000000000000e-13 -2.309263891220326e-14 PASS
Q(-1)[step 50] 4.130776137010008e+00 4.130776137010026e+00 4.130000000000000e-14 -1.776356839400250e-14 PASS
Q(-1)[step 75] 4.064950972547090e+00 4.064950972547106e+00 5.600000000000000e-14 -1.687538997430238e-14 PASS
Q(-1)[step 100] 4.091822670232401e+00 4.091822670233270e+00 1.000000000000000e-12 -8.695266728864226e-13 PASS
Q( 0)[step 1] -7.137608303968189e+00 -7.137608303968200e+00 3.570000000000000e-12 1.154631945610163e-14 PASS
Q( 0)[step 25] -7.469922011510196e+00 -7.469922011510200e+00 3.730000000000000e-13 4.440892098500626e-15 PASS
Q( 0)[step 50] -7.808731999289156e+00 -7.808731999289140e+00 3.900000000000000e-13 -1.598721155460225e-14 PASS
Q( 0)[step 75] -7.739446597993679e+00 -7.739446597993680e+00 3.870000000000000e-13 1.776356839400250e-15 PASS
Q( 0)[step 100] -7.648056564564810e+00 -7.648056564565430e+00 1.000000000000000e-12 6.208367153703875e-13 PASS
Q( 1)[step 1] -4.826111654801453e+00 -4.826111654803580e+00 2.370000000000000e-12 2.127187315181800e-12 PASS
Q( 1)[step 25] -4.732913242624242e+00 -4.732913242624240e+00 2.370000000000000e-13 -2.664535259100376e-15 PASS
Q( 1)[step 50] -4.489489823162559e+00 -4.489489823162540e+00 2.240000000000000e-13 -1.953992523340276e-14 PASS
Q( 1)[step 75] -4.327519808485445e+00 -4.327519808485425e+00 4.590000000000000e-14 -2.042810365310288e-14 PASS
Q( 1)[step 100] -4.287582681175262e+00 -4.287582681175240e+00 2.140000000000000e-13 -2.131628207280301e-14 PASS
Q( 2)[step 1] 1.189101961133257e+01 1.189101961133255e+01 1.190000000000000e-13 2.486899575160351e-14 PASS
Q( 2)[step 25] 1.233968578911677e+01 1.233968578911680e+01 6.170000000000000e-13 -2.842170943040401e-14 PASS
Q( 2)[step 50] 1.278029271318790e+01 1.278029271318795e+01 1.280000000000000e-13 -4.796163466380676e-14 PASS
Q( 2)[step 75] 1.272948913185600e+01 1.272948913185600e+01 6.360000000000000e-12 3.552713678800501e-15 PASS
Q( 2)[step 100] 1.255133064623371e+01 1.255133064623380e+01 6.280000000000001e-13 -9.059419880941277e-14 PASS
Compare to other inputs