Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086068e+01 -2.319580964086080e+01 1.160000000000000e-12 1.172395514004165e-13 PASS
Energy [step 25] -2.306754404347966e+01 -2.306754404347960e+01 1.150000000000000e-12 -5.684341886080801e-14 PASS
Energy [step 50] -2.306760129759914e+01 -2.306760129759910e+01 1.150000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 75] -2.306766261145399e+01 -2.306766261145400e+01 1.150000000000000e-11 7.105427357601002e-15 PASS
Energy [step 100] -2.306771709393765e+01 -2.306771709393760e+01 1.150000000000000e-12 -4.618527782440651e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511204e-02 4.378813412511501e-02 5.110000000000000e-15 -2.969846590872294e-15 PASS
Lx [step 50] 7.223501819495340e-03 7.223501819495281e-03 5.350000000000000e-15 5.898059818321144e-17 PASS
Lx [step 75] -1.948269821028659e-02 -1.948269821028625e-02 8.660000000000000e-15 -3.330669073875470e-16 PASS
Lx [step 100] -3.047203125192904e-02 -3.047203125192880e-02 6.000000000000000e-15 -2.428612866367530e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808443e-02 -7.184641094808490e-02 4.130000000000000e-15 4.718447854656915e-16 PASS
Ly [step 50] -7.117769255687467e-03 -7.117769255689680e-03 6.500000000000000e-15 2.212639793608417e-15 PASS
Ly [step 75] -4.172081222576259e-02 -4.172081222576260e-02 5.850000000000000e-15 6.938893903907228e-18 PASS
Ly [step 100] -5.777213620121111e-02 -5.777213620121158e-02 9.120000000000000e-15 4.649058915617843e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644945e-02 -9.756204043644941e-02 4.880000000000000e-15 -4.163336342344337e-17 PASS
Lz [step 50] 7.712993009735537e-03 7.712993009730000e-03 3.860000000000000e-13 5.536369973579980e-15 PASS
Lz [step 75] 7.208148635269507e-02 7.208148635269590e-02 8.660000000000000e-15 -8.326672684688674e-16 PASS
Lz [step 100] 5.119310678838305e-02 5.119310678838490e-02 9.139999999999999e-15 -1.852684672343230e-15 PASS
Q(-2)[step 1] -4.545099285100736e+00 -4.545099285100750e+00 2.270000000000000e-13 1.332267629550188e-14 PASS
Q(-2)[step 25] -4.611640700089471e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.947154128691182e-11 PASS
Q(-2)[step 50] -4.687349753661736e+00 -4.687349753662680e+00 1.000000000000000e-12 9.441336601412331e-13 PASS
Q(-2)[step 75] -4.392410657028166e+00 -4.392410657028165e+00 4.390000000000000e-14 -8.881784197001252e-16 PASS
Q(-2)[step 100] -4.181622432525416e+00 -4.181622432525399e+00 4.180000000000000e-14 -1.687538997430238e-14 PASS
Q(-1)[step 1] 4.178298639726163e+00 4.178298639726180e+00 2.090000000000000e-13 -1.687538997430238e-14 PASS
Q(-1)[step 25] 4.182239910020072e+00 4.182239910020090e+00 2.090000000000000e-13 -1.865174681370263e-14 PASS
Q(-1)[step 50] 4.130776137010007e+00 4.130776137010026e+00 4.130000000000000e-14 -1.865174681370263e-14 PASS
Q(-1)[step 75] 4.064950972547097e+00 4.064950972547106e+00 5.600000000000000e-14 -9.769962616701378e-15 PASS
Q(-1)[step 100] 4.091822670232412e+00 4.091822670233270e+00 1.000000000000000e-12 -8.579803534303210e-13 PASS
Q( 0)[step 1] -7.137608303968191e+00 -7.137608303968200e+00 3.570000000000000e-12 8.881784197001252e-15 PASS
Q( 0)[step 25] -7.469922011510185e+00 -7.469922011510200e+00 3.730000000000000e-13 1.509903313490213e-14 PASS
Q( 0)[step 50] -7.808731999289107e+00 -7.808731999289140e+00 3.900000000000000e-13 3.286260152890463e-14 PASS
Q( 0)[step 75] -7.739446597993695e+00 -7.739446597993680e+00 3.870000000000000e-13 -1.509903313490213e-14 PASS
Q( 0)[step 100] -7.648056564564773e+00 -7.648056564565430e+00 1.000000000000000e-12 6.572520305780927e-13 PASS
Q( 1)[step 1] -4.826111654801446e+00 -4.826111654803580e+00 2.370000000000000e-12 2.134292742539401e-12 PASS
Q( 1)[step 25] -4.732913242624234e+00 -4.732913242624240e+00 2.370000000000000e-13 5.329070518200751e-15 PASS
Q( 1)[step 50] -4.489489823162546e+00 -4.489489823162540e+00 2.240000000000000e-13 -6.217248937900877e-15 PASS
Q( 1)[step 75] -4.327519808485434e+00 -4.327519808485425e+00 4.590000000000000e-14 -8.881784197001252e-15 PASS
Q( 1)[step 100] -4.287582681175252e+00 -4.287582681175240e+00 2.140000000000000e-13 -1.154631945610163e-14 PASS
Q( 2)[step 1] 1.189101961133260e+01 1.189101961133255e+01 1.190000000000000e-13 5.151434834260726e-14 PASS
Q( 2)[step 25] 1.233968578911676e+01 1.233968578911680e+01 6.170000000000000e-13 -3.730349362740526e-14 PASS
Q( 2)[step 50] 1.278029271318787e+01 1.278029271318795e+01 1.280000000000000e-13 -7.815970093361102e-14 PASS
Q( 2)[step 75] 1.272948913185598e+01 1.272948913185600e+01 6.360000000000000e-12 -2.309263891220326e-14 PASS
Q( 2)[step 100] 1.255133064623374e+01 1.255133064623380e+01 6.280000000000001e-13 -5.684341886080801e-14 PASS
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