Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086072e+01 -2.319580964086080e+01 1.160000000000000e-12 8.171241461241152e-14 PASS
Energy [step 25] -2.306754404347962e+01 -2.306754404347960e+01 1.150000000000000e-12 -1.776356839400250e-14 PASS
Energy [step 50] -2.306760129759911e+01 -2.306760129759910e+01 1.150000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 75] -2.306766261145398e+01 -2.306766261145400e+01 1.150000000000000e-11 2.486899575160351e-14 PASS
Energy [step 100] -2.306771709393752e+01 -2.306771709393760e+01 1.150000000000000e-12 8.171241461241152e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511379e-02 4.378813412511501e-02 5.110000000000000e-15 -1.221245327087672e-15 PASS
Lx [step 50] 7.223501819493236e-03 7.223501819495281e-03 5.350000000000000e-15 -2.045238978176656e-15 PASS
Lx [step 75] -1.948269821029014e-02 -1.948269821028625e-02 8.660000000000000e-15 -3.882311139236094e-15 PASS
Lx [step 100] -3.047203125193186e-02 -3.047203125192880e-02 6.000000000000000e-15 -3.060052211623088e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808245e-02 -7.184641094808490e-02 4.130000000000000e-15 2.456368441983159e-15 PASS
Ly [step 50] -7.117769255691457e-03 -7.117769255689680e-03 6.500000000000000e-15 -1.777224201138239e-15 PASS
Ly [step 75] -4.172081222576349e-02 -4.172081222576260e-02 5.850000000000000e-15 -8.881784197001252e-16 PASS
Ly [step 100] -5.777213620121259e-02 -5.777213620121158e-02 9.120000000000000e-15 -1.013078509970455e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644814e-02 -9.756204043644941e-02 4.880000000000000e-15 1.262878690511116e-15 PASS
Lz [step 50] 7.712993009737032e-03 7.712993009730000e-03 3.860000000000000e-13 7.031701609871988e-15 PASS
Lz [step 75] 7.208148635269440e-02 7.208148635269590e-02 8.660000000000000e-15 -1.498801083243961e-15 PASS
Lz [step 100] 5.119310678838332e-02 5.119310678838490e-02 9.139999999999999e-15 -1.582067810090848e-15 PASS
Q(-2)[step 1] -4.545099285100754e+00 -4.545099285100750e+00 2.270000000000000e-13 -4.440892098500626e-15 PASS
Q(-2)[step 25] -4.611640700089465e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.946532403797391e-11 PASS
Q(-2)[step 50] -4.687349753661748e+00 -4.687349753662680e+00 1.000000000000000e-12 9.316991622654314e-13 PASS
Q(-2)[step 75] -4.392410657028176e+00 -4.392410657028165e+00 4.390000000000000e-14 -1.065814103640150e-14 PASS
Q(-2)[step 100] -4.181622432525404e+00 -4.181622432525399e+00 4.180000000000000e-14 -4.440892098500626e-15 PASS
Q(-1)[step 1] 4.178298639726162e+00 4.178298639726180e+00 2.090000000000000e-13 -1.865174681370263e-14 PASS
Q(-1)[step 25] 4.182239910020064e+00 4.182239910020090e+00 2.090000000000000e-13 -2.664535259100376e-14 PASS
Q(-1)[step 50] 4.130776137010004e+00 4.130776137010026e+00 4.130000000000000e-14 -2.131628207280301e-14 PASS
Q(-1)[step 75] 4.064950972547089e+00 4.064950972547106e+00 5.600000000000000e-14 -1.776356839400250e-14 PASS
Q(-1)[step 100] 4.091822670232405e+00 4.091822670233270e+00 1.000000000000000e-12 -8.650857807879220e-13 PASS
Q( 0)[step 1] -7.137608303968221e+00 -7.137608303968200e+00 3.570000000000000e-12 -2.042810365310288e-14 PASS
Q( 0)[step 25] -7.469922011510217e+00 -7.469922011510200e+00 3.730000000000000e-13 -1.687538997430238e-14 PASS
Q( 0)[step 50] -7.808731999289177e+00 -7.808731999289140e+00 3.900000000000000e-13 -3.641531520770513e-14 PASS
Q( 0)[step 75] -7.739446597993681e+00 -7.739446597993680e+00 3.870000000000000e-13 -8.881784197001252e-16 PASS
Q( 0)[step 100] -7.648056564564811e+00 -7.648056564565430e+00 1.000000000000000e-12 6.190603585309873e-13 PASS
Q( 1)[step 1] -4.826111654801458e+00 -4.826111654803580e+00 2.370000000000000e-12 2.122746423083299e-12 PASS
Q( 1)[step 25] -4.732913242624250e+00 -4.732913242624240e+00 2.370000000000000e-13 -1.065814103640150e-14 PASS
Q( 1)[step 50] -4.489489823162567e+00 -4.489489823162540e+00 2.240000000000000e-13 -2.753353101070388e-14 PASS
Q( 1)[step 75] -4.327519808485447e+00 -4.327519808485425e+00 4.590000000000000e-14 -2.220446049250313e-14 PASS
Q( 1)[step 100] -4.287582681175273e+00 -4.287582681175240e+00 2.140000000000000e-13 -3.286260152890463e-14 PASS
Q( 2)[step 1] 1.189101961133256e+01 1.189101961133255e+01 1.190000000000000e-13 8.881784197001252e-15 PASS
Q( 2)[step 25] 1.233968578911677e+01 1.233968578911680e+01 6.170000000000000e-13 -2.486899575160351e-14 PASS
Q( 2)[step 50] 1.278029271318789e+01 1.278029271318795e+01 1.280000000000000e-13 -6.217248937900877e-14 PASS
Q( 2)[step 75] 1.272948913185599e+01 1.272948913185600e+01 6.360000000000000e-12 -1.065814103640150e-14 PASS
Q( 2)[step 100] 1.255133064623370e+01 1.255133064623380e+01 6.280000000000001e-13 -1.012523398458143e-13 PASS
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