Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086079e+01 -2.319580964086080e+01 1.160000000000000e-12 7.105427357601002e-15 PASS
Energy [step 25] -2.306754404347964e+01 -2.306754404347960e+01 1.150000000000000e-12 -3.552713678800501e-14 PASS
Energy [step 50] -2.306760129759906e+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] -2.306771709393761e+01 -2.306771709393760e+01 1.150000000000000e-12 -1.065814103640150e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511526e-02 4.378813412511501e-02 5.110000000000000e-15 2.498001805406602e-16 PASS
Lx [step 50] 7.223501819495723e-03 7.223501819495281e-03 5.350000000000000e-15 4.423544863740858e-16 PASS
Lx [step 75] -1.948269821028622e-02 -1.948269821028625e-02 8.660000000000000e-15 3.816391647148976e-17 PASS
Lx [step 100] -3.047203125192973e-02 -3.047203125192880e-02 6.000000000000000e-15 -9.332812300755222e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808557e-02 -7.184641094808490e-02 4.130000000000000e-15 -6.661338147750939e-16 PASS
Ly [step 50] -7.117769255690430e-03 -7.117769255689680e-03 6.500000000000000e-15 -7.502679033599691e-16 PASS
Ly [step 75] -4.172081222576491e-02 -4.172081222576260e-02 5.850000000000000e-15 -2.310651670001107e-15 PASS
Ly [step 100] -5.777213620121252e-02 -5.777213620121158e-02 9.120000000000000e-15 -9.436895709313831e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043645222e-02 -9.756204043644941e-02 4.880000000000000e-15 -2.817190924986335e-15 PASS
Lz [step 50] 7.712993009732716e-03 7.712993009730000e-03 3.860000000000000e-13 2.715709601641692e-15 PASS
Lz [step 75] 7.208148635269053e-02 7.208148635269590e-02 8.660000000000000e-15 -5.370703881624195e-15 PASS
Lz [step 100] 5.119310678838561e-02 5.119310678838490e-02 9.139999999999999e-15 7.077671781985373e-16 PASS
Q(-2)[step 1] -4.545099285100751e+00 -4.545099285100750e+00 2.270000000000000e-13 -8.881784197001252e-16 PASS
Q(-2)[step 25] -4.611640700089454e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.945466589693751e-11 PASS
Q(-2)[step 50] -4.687349753661741e+00 -4.687349753662680e+00 1.000000000000000e-12 9.388045896230324e-13 PASS
Q(-2)[step 75] -4.392410657028162e+00 -4.392410657028165e+00 4.390000000000000e-14 3.552713678800501e-15 PASS
Q(-2)[step 100] -4.181622432525389e+00 -4.181622432525399e+00 4.180000000000000e-14 1.065814103640150e-14 PASS
Q(-1)[step 1] 4.178298639726164e+00 4.178298639726180e+00 2.090000000000000e-13 -1.598721155460225e-14 PASS
Q(-1)[step 25] 4.182239910020066e+00 4.182239910020090e+00 2.090000000000000e-13 -2.486899575160351e-14 PASS
Q(-1)[step 50] 4.130776137010010e+00 4.130776137010026e+00 4.130000000000000e-14 -1.509903313490213e-14 PASS
Q(-1)[step 75] 4.064950972547092e+00 4.064950972547106e+00 5.600000000000000e-14 -1.421085471520200e-14 PASS
Q(-1)[step 100] 4.091822670232406e+00 4.091822670233270e+00 1.000000000000000e-12 -8.641976023682219e-13 PASS
Q( 0)[step 1] -7.137608303968187e+00 -7.137608303968200e+00 3.570000000000000e-12 1.332267629550188e-14 PASS
Q( 0)[step 25] -7.469922011510196e+00 -7.469922011510200e+00 3.730000000000000e-13 4.440892098500626e-15 PASS
Q( 0)[step 50] -7.808731999289167e+00 -7.808731999289140e+00 3.900000000000000e-13 -2.664535259100376e-14 PASS
Q( 0)[step 75] -7.739446597993674e+00 -7.739446597993680e+00 3.870000000000000e-13 6.217248937900877e-15 PASS
Q( 0)[step 100] -7.648056564564809e+00 -7.648056564565430e+00 1.000000000000000e-12 6.217248937900877e-13 PASS
Q( 1)[step 1] -4.826111654801450e+00 -4.826111654803580e+00 2.370000000000000e-12 2.130740028860600e-12 PASS
Q( 1)[step 25] -4.732913242624238e+00 -4.732913242624240e+00 2.370000000000000e-13 1.776356839400250e-15 PASS
Q( 1)[step 50] -4.489489823162559e+00 -4.489489823162540e+00 2.240000000000000e-13 -1.953992523340276e-14 PASS
Q( 1)[step 75] -4.327519808485439e+00 -4.327519808485425e+00 4.590000000000000e-14 -1.421085471520200e-14 PASS
Q( 1)[step 100] -4.287582681175258e+00 -4.287582681175240e+00 2.140000000000000e-13 -1.776356839400250e-14 PASS
Q( 2)[step 1] 1.189101961133257e+01 1.189101961133255e+01 1.190000000000000e-13 1.953992523340276e-14 PASS
Q( 2)[step 25] 1.233968578911677e+01 1.233968578911680e+01 6.170000000000000e-13 -2.664535259100376e-14 PASS
Q( 2)[step 50] 1.278029271318790e+01 1.278029271318795e+01 1.280000000000000e-13 -5.151434834260726e-14 PASS
Q( 2)[step 75] 1.272948913185600e+01 1.272948913185600e+01 6.360000000000000e-12 -3.552713678800501e-15 PASS
Q( 2)[step 100] 1.255133064623371e+01 1.255133064623380e+01 6.280000000000001e-13 -8.704148513061227e-14 PASS
Compare to other inputs