Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086077e+01 -2.319580964086080e+01 1.160000000000000e-12 2.842170943040401e-14 PASS
Energy [step 25] -2.306754404347963e+01 -2.306754404347960e+01 1.150000000000000e-12 -2.842170943040401e-14 PASS
Energy [step 50] -2.306760129759900e+01 -2.306760129759910e+01 1.150000000000000e-13 9.592326932761353e-14 PASS
Energy [step 75] -2.306766261145406e+01 -2.306766261145400e+01 1.150000000000000e-11 -5.684341886080801e-14 PASS
Energy [step 100] -2.306771709393761e+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] 4.378813412511405e-02 4.378813412511501e-02 5.110000000000000e-15 -9.575673587391975e-16 PASS
Lx [step 50] 7.223501819492481e-03 7.223501819495281e-03 5.350000000000000e-15 -2.799843690226567e-15 PASS
Lx [step 75] -1.948269821028753e-02 -1.948269821028625e-02 8.660000000000000e-15 -1.276756478318930e-15 PASS
Lx [step 100] -3.047203125192804e-02 -3.047203125192880e-02 6.000000000000000e-15 7.563394355258879e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808689e-02 -7.184641094808490e-02 4.130000000000000e-15 -1.984523656517467e-15 PASS
Ly [step 50] -7.117769255687148e-03 -7.117769255689680e-03 4.190000000000000e-15 2.531828913188150e-15 PASS
Ly [step 75] -4.172081222575858e-02 -4.172081222576260e-02 5.850000000000000e-15 4.017619570362285e-15 PASS
Ly [step 100] -5.777213620120779e-02 -5.777213620121158e-02 9.120000000000000e-15 3.788636071533347e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644781e-02 -9.756204043644941e-02 4.880000000000000e-15 1.595945597898663e-15 PASS
Lz [step 50] 7.712993009734641e-03 7.712993009730000e-03 3.860000000000000e-13 4.641252659975947e-15 PASS
Lz [step 75] 7.208148635269404e-02 7.208148635269590e-02 8.660000000000000e-15 -1.859623566247137e-15 PASS
Lz [step 100] 5.119310678838426e-02 5.119310678838490e-02 9.139999999999999e-15 -6.453171330633722e-16 PASS
Q(-2)[step 1] -4.545099285100750e+00 -4.545099285100750e+00 2.270000000000000e-13 0.000000000000000e+00 PASS
Q(-2)[step 25] -4.611640700089466e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.946621221639361e-11 PASS
Q(-2)[step 50] -4.687349753661740e+00 -4.687349753662680e+00 1.000000000000000e-12 9.396927680427325e-13 PASS
Q(-2)[step 75] -4.392410657028162e+00 -4.392410657028165e+00 4.390000000000000e-14 3.552713678800501e-15 PASS
Q(-2)[step 100] -4.181622432525398e+00 -4.181622432525399e+00 4.180000000000000e-14 1.776356839400250e-15 PASS
Q(-1)[step 1] 4.178298639726169e+00 4.178298639726180e+00 2.090000000000000e-13 -1.154631945610163e-14 PASS
Q(-1)[step 25] 4.182239910020063e+00 4.182239910020090e+00 2.090000000000000e-13 -2.753353101070388e-14 PASS
Q(-1)[step 50] 4.130776137009999e+00 4.130776137010026e+00 4.130000000000000e-14 -2.664535259100376e-14 PASS
Q(-1)[step 75] 4.064950972547068e+00 4.064950972547106e+00 4.390000000000000e-14 -3.819167204710538e-14 PASS
Q(-1)[step 100] 4.091822670232381e+00 4.091822670233270e+00 1.000000000000000e-12 -8.890665981198254e-13 PASS
Q( 0)[step 1] -7.137608303968177e+00 -7.137608303968200e+00 3.570000000000000e-12 2.309263891220326e-14 PASS
Q( 0)[step 25] -7.469922011510182e+00 -7.469922011510200e+00 3.730000000000000e-13 1.865174681370263e-14 PASS
Q( 0)[step 50] -7.808731999289139e+00 -7.808731999289140e+00 3.900000000000000e-13 8.881784197001252e-16 PASS
Q( 0)[step 75] -7.739446597993685e+00 -7.739446597993680e+00 3.870000000000000e-13 -4.440892098500626e-15 PASS
Q( 0)[step 100] -7.648056564564818e+00 -7.648056564565430e+00 1.000000000000000e-12 6.128431095930864e-13 PASS
Q( 1)[step 1] -4.826111654801446e+00 -4.826111654803580e+00 2.370000000000000e-12 2.134292742539401e-12 PASS
Q( 1)[step 25] -4.732913242624226e+00 -4.732913242624240e+00 2.370000000000000e-13 1.332267629550188e-14 PASS
Q( 1)[step 50] -4.489489823162547e+00 -4.489489823162540e+00 2.240000000000000e-13 -7.105427357601002e-15 PASS
Q( 1)[step 75] -4.327519808485453e+00 -4.327519808485425e+00 4.590000000000000e-14 -2.842170943040401e-14 PASS
Q( 1)[step 100] -4.287582681175270e+00 -4.287582681175240e+00 2.140000000000000e-13 -3.019806626980426e-14 PASS
Q( 2)[step 1] 1.189101961133256e+01 1.189101961133255e+01 1.190000000000000e-13 1.243449787580175e-14 PASS
Q( 2)[step 25] 1.233968578911675e+01 1.233968578911680e+01 6.170000000000000e-13 -4.796163466380676e-14 PASS
Q( 2)[step 50] 1.278029271318787e+01 1.278029271318795e+01 1.280000000000000e-13 -7.815970093361102e-14 PASS
Q( 2)[step 75] 1.272948913185599e+01 1.272948913185600e+01 6.360000000000000e-12 -1.243449787580175e-14 PASS
Q( 2)[step 100] 1.255133064623369e+01 1.255133064623380e+01 6.280000000000001e-13 -1.136868377216160e-13 PASS
Compare to other inputs