Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086071e+01 -2.319580964086080e+01 1.160000000000000e-12 9.237055564881302e-14 PASS
Energy [step 25] -2.306754404347961e+01 -2.306754404347960e+01 1.150000000000000e-12 -1.421085471520200e-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 2.842170943040401e-14 PASS
Energy [step 100] -2.306771709393757e+01 -2.306771709393760e+01 1.150000000000000e-12 2.486899575160351e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511324e-02 4.378813412511501e-02 5.110000000000000e-15 -1.769417945496343e-15 PASS
Lx [step 50] 7.223501819492884e-03 7.223501819495281e-03 5.350000000000000e-15 -2.397387843799947e-15 PASS
Lx [step 75] -1.948269821028932e-02 -1.948269821028625e-02 8.660000000000000e-15 -3.066991105526995e-15 PASS
Lx [step 100] -3.047203125193099e-02 -3.047203125192880e-02 6.000000000000000e-15 -2.185751579730777e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808469e-02 -7.184641094808490e-02 4.130000000000000e-15 2.081668171172169e-16 PASS
Ly [step 50] -7.117769255687550e-03 -7.117769255689680e-03 6.500000000000000e-15 2.129373066761531e-15 PASS
Ly [step 75] -4.172081222576153e-02 -4.172081222576260e-02 5.850000000000000e-15 1.068589661201713e-15 PASS
Ly [step 100] -5.777213620120652e-02 -5.777213620121158e-02 9.120000000000000e-15 5.058453655948369e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644816e-02 -9.756204043644941e-02 4.880000000000000e-15 1.249000902703301e-15 PASS
Lz [step 50] 7.712993009734211e-03 7.712993009730000e-03 3.860000000000000e-13 4.211041237933699e-15 PASS
Lz [step 75] 7.208148635269288e-02 7.208148635269590e-02 8.660000000000000e-15 -3.025357742103552e-15 PASS
Lz [step 100] 5.119310678838242e-02 5.119310678838490e-02 9.139999999999999e-15 -2.484124017598788e-15 PASS
Q(-2)[step 1] -4.545099285100752e+00 -4.545099285100750e+00 2.270000000000000e-13 -2.664535259100376e-15 PASS
Q(-2)[step 25] -4.611640700089461e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.946177132429511e-11 PASS
Q(-2)[step 50] -4.687349753661747e+00 -4.687349753662680e+00 1.000000000000000e-12 9.334755191048316e-13 PASS
Q(-2)[step 75] -4.392410657028170e+00 -4.392410657028165e+00 4.390000000000000e-14 -4.440892098500626e-15 PASS
Q(-2)[step 100] -4.181622432525400e+00 -4.181622432525399e+00 4.180000000000000e-14 -8.881784197001252e-16 PASS
Q(-1)[step 1] 4.178298639726181e+00 4.178298639726180e+00 2.090000000000000e-13 8.881784197001252e-16 PASS
Q(-1)[step 25] 4.182239910020080e+00 4.182239910020090e+00 2.090000000000000e-13 -1.065814103640150e-14 PASS
Q(-1)[step 50] 4.130776137010013e+00 4.130776137010026e+00 4.130000000000000e-14 -1.243449787580175e-14 PASS
Q(-1)[step 75] 4.064950972547098e+00 4.064950972547106e+00 5.600000000000000e-14 -8.881784197001252e-15 PASS
Q(-1)[step 100] 4.091822670232408e+00 4.091822670233270e+00 1.000000000000000e-12 -8.624212455288216e-13 PASS
Q( 0)[step 1] -7.137608303968173e+00 -7.137608303968200e+00 3.570000000000000e-12 2.753353101070388e-14 PASS
Q( 0)[step 25] -7.469922011510191e+00 -7.469922011510200e+00 3.730000000000000e-13 8.881784197001252e-15 PASS
Q( 0)[step 50] -7.808731999289154e+00 -7.808731999289140e+00 3.900000000000000e-13 -1.332267629550188e-14 PASS
Q( 0)[step 75] -7.739446597993683e+00 -7.739446597993680e+00 3.870000000000000e-13 -2.664535259100376e-15 PASS
Q( 0)[step 100] -7.648056564564805e+00 -7.648056564565430e+00 1.000000000000000e-12 6.252776074688882e-13 PASS
Q( 1)[step 1] -4.826111654801450e+00 -4.826111654803580e+00 2.370000000000000e-12 2.129851850440900e-12 PASS
Q( 1)[step 25] -4.732913242624234e+00 -4.732913242624240e+00 2.370000000000000e-13 6.217248937900877e-15 PASS
Q( 1)[step 50] -4.489489823162553e+00 -4.489489823162540e+00 2.240000000000000e-13 -1.332267629550188e-14 PASS
Q( 1)[step 75] -4.327519808485440e+00 -4.327519808485425e+00 4.590000000000000e-14 -1.509903313490213e-14 PASS
Q( 1)[step 100] -4.287582681175256e+00 -4.287582681175240e+00 2.140000000000000e-13 -1.598721155460225e-14 PASS
Q( 2)[step 1] 1.189101961133256e+01 1.189101961133255e+01 1.190000000000000e-13 1.421085471520200e-14 PASS
Q( 2)[step 25] 1.233968578911676e+01 1.233968578911680e+01 6.170000000000000e-13 -3.552713678800501e-14 PASS
Q( 2)[step 50] 1.278029271318789e+01 1.278029271318795e+01 1.280000000000000e-13 -6.039613253960852e-14 PASS
Q( 2)[step 75] 1.272948913185599e+01 1.272948913185600e+01 6.360000000000000e-12 -8.881784197001252e-15 PASS
Q( 2)[step 100] 1.255133064623369e+01 1.255133064623380e+01 6.280000000000001e-13 -1.048050535246148e-13 PASS
Compare to other inputs