Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_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] -2.306754404347965e+01 -2.306754404347960e+01 1.150000000000000e-12 -4.973799150320701e-14 PASS
Energy [step 50] -2.306760129759913e+01 -2.306760129759910e+01 1.150000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 75] -2.306766261145404e+01 -2.306766261145400e+01 1.150000000000000e-11 -3.552713678800501e-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] 4.378813412511343e-02 4.378813412511501e-02 5.110000000000000e-15 -1.575128916186941e-15 PASS
Lx [step 50] 7.223501819492051e-03 7.223501819495281e-03 5.350000000000000e-15 -3.230055112268815e-15 PASS
Lx [step 75] -1.948269821028670e-02 -1.948269821028625e-02 8.660000000000000e-15 -4.440892098500626e-16 PASS
Lx [step 100] -3.047203125193109e-02 -3.047203125192880e-02 6.000000000000000e-15 -2.289834988289385e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808285e-02 -7.184641094808490e-02 4.130000000000000e-15 2.053912595556540e-15 PASS
Ly [step 50] -7.117769255690576e-03 -7.117769255689680e-03 6.500000000000000e-15 -8.959846753420209e-16 PASS
Ly [step 75] -4.172081222576564e-02 -4.172081222576260e-02 5.850000000000000e-15 -3.039235529911366e-15 PASS
Ly [step 100] -5.777213620121331e-02 -5.777213620121158e-02 9.120000000000000e-15 -1.734723475976807e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644585e-02 -9.756204043644941e-02 4.880000000000000e-15 3.552713678800501e-15 PASS
Lz [step 50] 7.712993009731588e-03 7.712993009730000e-03 3.860000000000000e-13 1.588139342256767e-15 PASS
Lz [step 75] 7.208148635268803e-02 7.208148635269590e-02 8.660000000000000e-15 -7.868705687030797e-15 PASS
Lz [step 100] 5.119310678837848e-02 5.119310678838490e-02 9.139999999999999e-15 -6.425415755018093e-15 PASS
Q(-2)[step 1] -4.545099285100760e+00 -4.545099285100750e+00 2.270000000000000e-13 -1.065814103640150e-14 PASS
Q(-2)[step 25] -4.611640700089482e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.948219942794822e-11 PASS
Q(-2)[step 50] -4.687349753661756e+00 -4.687349753662680e+00 1.000000000000000e-12 9.237055564881302e-13 PASS
Q(-2)[step 75] -4.392410657028186e+00 -4.392410657028165e+00 4.390000000000000e-14 -2.131628207280301e-14 PASS
Q(-2)[step 100] -4.181622432525413e+00 -4.181622432525399e+00 4.180000000000000e-14 -1.332267629550188e-14 PASS
Q(-1)[step 1] 4.178298639726181e+00 4.178298639726180e+00 2.090000000000000e-13 8.881784197001252e-16 PASS
Q(-1)[step 25] 4.182239910020092e+00 4.182239910020090e+00 2.090000000000000e-13 1.776356839400250e-15 PASS
Q(-1)[step 50] 4.130776137010035e+00 4.130776137010026e+00 4.130000000000000e-14 9.769962616701378e-15 PASS
Q(-1)[step 75] 4.064950972547137e+00 4.064950972547106e+00 5.600000000000000e-14 3.019806626980426e-14 PASS
Q(-1)[step 100] 4.091822670232440e+00 4.091822670233270e+00 1.000000000000000e-12 -8.304468224196171e-13 PASS
Q( 0)[step 1] -7.137608303968202e+00 -7.137608303968200e+00 3.570000000000000e-12 -1.776356839400250e-15 PASS
Q( 0)[step 25] -7.469922011510217e+00 -7.469922011510200e+00 3.730000000000000e-13 -1.687538997430238e-14 PASS
Q( 0)[step 50] -7.808731999289156e+00 -7.808731999289140e+00 3.900000000000000e-13 -1.598721155460225e-14 PASS
Q( 0)[step 75] -7.739446597993689e+00 -7.739446597993680e+00 3.870000000000000e-13 -8.881784197001252e-15 PASS
Q( 0)[step 100] -7.648056564564802e+00 -7.648056564565430e+00 1.000000000000000e-12 6.279421427279885e-13 PASS
Q( 1)[step 1] -4.826111654801458e+00 -4.826111654803580e+00 2.370000000000000e-12 2.122746423083299e-12 PASS
Q( 1)[step 25] -4.732913242624251e+00 -4.732913242624240e+00 2.370000000000000e-13 -1.154631945610163e-14 PASS
Q( 1)[step 50] -4.489489823162563e+00 -4.489489823162540e+00 2.240000000000000e-13 -2.309263891220326e-14 PASS
Q( 1)[step 75] -4.327519808485447e+00 -4.327519808485425e+00 4.590000000000000e-14 -2.220446049250313e-14 PASS
Q( 1)[step 100] -4.287582681175249e+00 -4.287582681175240e+00 2.140000000000000e-13 -8.881784197001252e-15 PASS
Q( 2)[step 1] 1.189101961133255e+01 1.189101961133255e+01 1.190000000000000e-13 5.329070518200751e-15 PASS
Q( 2)[step 25] 1.233968578911679e+01 1.233968578911680e+01 6.170000000000000e-13 -1.243449787580175e-14 PASS
Q( 2)[step 50] 1.278029271318792e+01 1.278029271318795e+01 1.280000000000000e-13 -2.664535259100376e-14 PASS
Q( 2)[step 75] 1.272948913185601e+01 1.272948913185600e+01 6.360000000000000e-12 8.881784197001252e-15 PASS
Q( 2)[step 100] 1.255133064623372e+01 1.255133064623380e+01 6.280000000000001e-13 -8.171241461241152e-14 PASS
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