Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 1f10c93c74388b17aea6526c581521be8cd6aa14 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086070e+01 -2.319580964086080e+01 1.160000000000000e-12 9.947598300641403e-14 PASS
Energy [step 25] -2.306754404347958e+01 -2.306754404347960e+01 1.150000000000000e-12 2.131628207280301e-14 PASS
Energy [step 50] -2.306760129759908e+01 -2.306760129759910e+01 1.150000000000000e-13 2.486899575160351e-14 PASS
Energy [step 75] -2.306766261145397e+01 -2.306766261145400e+01 1.150000000000000e-11 3.197442310920451e-14 PASS
Energy [step 100] -2.306771709393758e+01 -2.306771709393760e+01 1.150000000000000e-12 1.421085471520200e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511395e-02 4.378813412511501e-02 5.110000000000000e-15 -1.054711873393899e-15 PASS
Lx [step 50] 7.223501819494257e-03 7.223501819495281e-03 5.350000000000000e-15 -1.023486850826316e-15 PASS
Lx [step 75] -1.948269821028437e-02 -1.948269821028625e-02 8.660000000000000e-15 1.887379141862766e-15 PASS
Lx [step 100] -3.047203125192988e-02 -3.047203125192880e-02 6.000000000000000e-15 -1.075528555105620e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808158e-02 -7.184641094808490e-02 4.130000000000000e-15 3.316791286067655e-15 PASS
Ly [step 50] -7.117769255687995e-03 -7.117769255689680e-03 6.500000000000000e-15 1.685283856911468e-15 PASS
Ly [step 75] -4.172081222576447e-02 -4.172081222576260e-02 5.850000000000000e-15 -1.866562460151044e-15 PASS
Ly [step 100] -5.777213620120954e-02 -5.777213620121158e-02 9.120000000000000e-15 2.040034807748725e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644988e-02 -9.756204043644941e-02 4.880000000000000e-15 -4.718447854656915e-16 PASS
Lz [step 50] 7.712993009740005e-03 7.712993009730000e-03 3.860000000000000e-13 1.000501764769623e-14 PASS
Lz [step 75] 7.208148635269782e-02 7.208148635269590e-02 8.660000000000000e-15 1.915134717478395e-15 PASS
Lz [step 100] 5.119310678838022e-02 5.119310678838490e-02 9.139999999999999e-15 -4.683753385137379e-15 PASS
Q(-2)[step 1] -4.545099285100738e+00 -4.545099285100750e+00 2.270000000000000e-13 1.154631945610163e-14 PASS
Q(-2)[step 25] -4.611640700089477e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.947687035743002e-11 PASS
Q(-2)[step 50] -4.687349753661743e+00 -4.687349753662680e+00 1.000000000000000e-12 9.370282327836321e-13 PASS
Q(-2)[step 75] -4.392410657028176e+00 -4.392410657028165e+00 4.390000000000000e-14 -1.065814103640150e-14 PASS
Q(-2)[step 100] -4.181622432525425e+00 -4.181622432525399e+00 4.180000000000000e-14 -2.575717417130363e-14 PASS
Q(-1)[step 1] 4.178298639726174e+00 4.178298639726180e+00 2.090000000000000e-13 -6.217248937900877e-15 PASS
Q(-1)[step 25] 4.182239910020084e+00 4.182239910020090e+00 2.090000000000000e-13 -6.217248937900877e-15 PASS
Q(-1)[step 50] 4.130776137010026e+00 4.130776137010026e+00 4.130000000000000e-14 0.000000000000000e+00 PASS
Q(-1)[step 75] 4.064950972547116e+00 4.064950972547106e+00 5.600000000000000e-14 9.769962616701378e-15 PASS
Q(-1)[step 100] 4.091822670232417e+00 4.091822670233270e+00 1.000000000000000e-12 -8.535394613318203e-13 PASS
Q( 0)[step 1] -7.137608303968210e+00 -7.137608303968200e+00 3.570000000000000e-12 -9.769962616701378e-15 PASS
Q( 0)[step 25] -7.469922011510205e+00 -7.469922011510200e+00 3.730000000000000e-13 -4.440892098500626e-15 PASS
Q( 0)[step 50] -7.808731999289122e+00 -7.808731999289140e+00 3.900000000000000e-13 1.865174681370263e-14 PASS
Q( 0)[step 75] -7.739446597993708e+00 -7.739446597993680e+00 3.870000000000000e-13 -2.753353101070388e-14 PASS
Q( 0)[step 100] -7.648056564564779e+00 -7.648056564565430e+00 1.000000000000000e-12 6.510347816401918e-13 PASS
Q( 1)[step 1] -4.826111654801454e+00 -4.826111654803580e+00 2.370000000000000e-12 2.126299136762100e-12 PASS
Q( 1)[step 25] -4.732913242624247e+00 -4.732913242624240e+00 2.370000000000000e-13 -7.105427357601002e-15 PASS
Q( 1)[step 50] -4.489489823162566e+00 -4.489489823162540e+00 2.240000000000000e-13 -2.575717417130363e-14 PASS
Q( 1)[step 75] -4.327519808485446e+00 -4.327519808485425e+00 4.590000000000000e-14 -2.131628207280301e-14 PASS
Q( 1)[step 100] -4.287582681175264e+00 -4.287582681175240e+00 2.140000000000000e-13 -2.398081733190338e-14 PASS
Q( 2)[step 1] 1.189101961133260e+01 1.189101961133255e+01 1.190000000000000e-13 4.618527782440651e-14 PASS
Q( 2)[step 25] 1.233968578911675e+01 1.233968578911680e+01 6.170000000000000e-13 -4.618527782440651e-14 PASS
Q( 2)[step 50] 1.278029271318786e+01 1.278029271318795e+01 1.280000000000000e-13 -9.059419880941277e-14 PASS
Q( 2)[step 75] 1.272948913185597e+01 1.272948913185600e+01 6.360000000000000e-12 -2.842170943040401e-14 PASS
Q( 2)[step 100] 1.255133064623374e+01 1.255133064623380e+01 6.280000000000001e-13 -5.684341886080801e-14 PASS
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