Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086074e+01 -2.319580964086080e+01 1.160000000000000e-12 6.394884621840902e-14 PASS
Energy [step 25] -2.306754404347963e+01 -2.306754404347960e+01 1.150000000000000e-12 -2.842170943040401e-14 PASS
Energy [step 50] -2.306760129759914e+01 -2.306760129759910e+01 1.150000000000000e-13 -3.552713678800501e-14 PASS
Energy [step 75] -2.306766261145406e+01 -2.306766261145400e+01 1.150000000000000e-11 -5.684341886080801e-14 PASS
Energy [step 100] -2.306771709393770e+01 -2.306771709393760e+01 1.150000000000000e-12 -9.947598300641403e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511166e-02 4.378813412511501e-02 5.110000000000000e-15 -3.344546861683284e-15 PASS
Lx [step 50] 7.223501819495479e-03 7.223501819495281e-03 5.350000000000000e-15 1.977584762613560e-16 PASS
Lx [step 75] -1.948269821028020e-02 -1.948269821028625e-02 8.660000000000000e-15 6.050715484207103e-15 PASS
Lx [step 100] -3.047203125192570e-02 -3.047203125192880e-02 6.000000000000000e-15 3.101685575046531e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808381e-02 -7.184641094808490e-02 4.130000000000000e-15 1.096345236817342e-15 PASS
Ly [step 50] -7.117769255688480e-03 -7.117769255689680e-03 6.500000000000000e-15 1.199561283637962e-15 PASS
Ly [step 75] -4.172081222576214e-02 -4.172081222576260e-02 5.850000000000000e-15 4.579669976578771e-16 PASS
Ly [step 100] -5.777213620121417e-02 -5.777213620121158e-02 9.120000000000000e-15 -2.588207426157396e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644873e-02 -9.756204043644941e-02 4.880000000000000e-15 6.800116025829084e-16 PASS
Lz [step 50] 7.712993009736758e-03 7.712993009730000e-03 3.860000000000000e-13 6.757615300667652e-15 PASS
Lz [step 75] 7.208148635269321e-02 7.208148635269590e-02 8.660000000000000e-15 -2.692290834716005e-15 PASS
Lz [step 100] 5.119310678838136e-02 5.119310678838490e-02 9.139999999999999e-15 -3.538835890992686e-15 PASS
Q(-2)[step 1] -4.545099285100737e+00 -4.545099285100750e+00 2.270000000000000e-13 1.243449787580175e-14 PASS
Q(-2)[step 25] -4.611640700089480e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.948042307110882e-11 PASS
Q(-2)[step 50] -4.687349753661743e+00 -4.687349753662680e+00 1.000000000000000e-12 9.370282327836321e-13 PASS
Q(-2)[step 75] -4.392410657028166e+00 -4.392410657028165e+00 4.390000000000000e-14 -8.881784197001252e-16 PASS
Q(-2)[step 100] -4.181622432525421e+00 -4.181622432525399e+00 4.180000000000000e-14 -2.131628207280301e-14 PASS
Q(-1)[step 1] 4.178298639726157e+00 4.178298639726180e+00 2.090000000000000e-13 -2.309263891220326e-14 PASS
Q(-1)[step 25] 4.182239910020064e+00 4.182239910020090e+00 2.090000000000000e-13 -2.664535259100376e-14 PASS
Q(-1)[step 50] 4.130776137010020e+00 4.130776137010026e+00 4.130000000000000e-14 -5.329070518200751e-15 PASS
Q(-1)[step 75] 4.064950972547129e+00 4.064950972547106e+00 5.600000000000000e-14 2.220446049250313e-14 PASS
Q(-1)[step 100] 4.091822670232428e+00 4.091822670233270e+00 1.000000000000000e-12 -8.419931418757187e-13 PASS
Q( 0)[step 1] -7.137608303968210e+00 -7.137608303968200e+00 3.570000000000000e-12 -9.769962616701378e-15 PASS
Q( 0)[step 25] -7.469922011510198e+00 -7.469922011510200e+00 3.730000000000000e-13 2.664535259100376e-15 PASS
Q( 0)[step 50] -7.808731999289118e+00 -7.808731999289140e+00 3.900000000000000e-13 2.220446049250313e-14 PASS
Q( 0)[step 75] -7.739446597993702e+00 -7.739446597993680e+00 3.870000000000000e-13 -2.131628207280301e-14 PASS
Q( 0)[step 100] -7.648056564564767e+00 -7.648056564565430e+00 1.000000000000000e-12 6.634692795159935e-13 PASS
Q( 1)[step 1] -4.826111654801455e+00 -4.826111654803580e+00 2.370000000000000e-12 2.125410958342400e-12 PASS
Q( 1)[step 25] -4.732913242624242e+00 -4.732913242624240e+00 2.370000000000000e-13 -2.664535259100376e-15 PASS
Q( 1)[step 50] -4.489489823162551e+00 -4.489489823162540e+00 2.240000000000000e-13 -1.154631945610163e-14 PASS
Q( 1)[step 75] -4.327519808485427e+00 -4.327519808485425e+00 4.590000000000000e-14 -1.776356839400250e-15 PASS
Q( 1)[step 100] -4.287582681175242e+00 -4.287582681175240e+00 2.140000000000000e-13 -1.776356839400250e-15 PASS
Q( 2)[step 1] 1.189101961133261e+01 1.189101961133255e+01 1.190000000000000e-13 5.684341886080801e-14 PASS
Q( 2)[step 25] 1.233968578911677e+01 1.233968578911680e+01 6.170000000000000e-13 -2.486899575160351e-14 PASS
Q( 2)[step 50] 1.278029271318789e+01 1.278029271318795e+01 1.280000000000000e-13 -6.217248937900877e-14 PASS
Q( 2)[step 75] 1.272948913185599e+01 1.272948913185600e+01 6.360000000000000e-12 -8.881784197001252e-15 PASS
Q( 2)[step 100] 1.255133064623376e+01 1.255133064623380e+01 6.280000000000001e-13 -4.085620730620576e-14 PASS
Compare to other inputs