Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086071e+01 -2.319580964086080e+01 1.160000000000000e-12 9.592326932761353e-14 PASS
Energy [step 25] -2.306754404347961e+01 -2.306754404347960e+01 1.150000000000000e-12 -1.065814103640150e-14 PASS
Energy [step 50] -2.306760129759912e+01 -2.306760129759910e+01 1.150000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 75] -2.306766261145393e+01 -2.306766261145400e+01 1.150000000000000e-11 7.105427357601002e-14 PASS
Energy [step 100] -2.306771709393751e+01 -2.306771709393760e+01 1.150000000000000e-12 8.881784197001252e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511735e-02 4.378813412511501e-02 5.110000000000000e-15 2.345346139520643e-15 PASS
Lx [step 50] 7.223501819497602e-03 7.223501819495281e-03 5.350000000000000e-15 2.321060010856968e-15 PASS
Lx [step 75] -1.948269821028616e-02 -1.948269821028625e-02 8.660000000000000e-15 9.714451465470120e-17 PASS
Lx [step 100] -3.047203125192690e-02 -3.047203125192880e-02 6.000000000000000e-15 1.901256929670581e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808449e-02 -7.184641094808490e-02 4.130000000000000e-15 4.163336342344337e-16 PASS
Ly [step 50] -7.117769255686517e-03 -7.117769255689680e-03 6.500000000000000e-15 3.163268258443708e-15 PASS
Ly [step 75] -4.172081222576392e-02 -4.172081222576260e-02 5.850000000000000e-15 -1.318389841742373e-15 PASS
Ly [step 100] -5.777213620120598e-02 -5.777213620121158e-02 9.120000000000000e-15 5.592748486549226e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644644e-02 -9.756204043644941e-02 4.880000000000000e-15 2.969846590872294e-15 PASS
Lz [step 50] 7.712993009736081e-03 7.712993009730000e-03 3.860000000000000e-13 6.081073145036697e-15 PASS
Lz [step 75] 7.208148635269655e-02 7.208148635269590e-02 8.660000000000000e-15 6.522560269672795e-16 PASS
Lz [step 100] 5.119310678839171e-02 5.119310678838490e-02 9.139999999999999e-15 6.807054919732991e-15 PASS
Q(-2)[step 1] -4.545099285100721e+00 -4.545099285100750e+00 2.270000000000000e-13 2.842170943040401e-14 PASS
Q(-2)[step 25] -4.611640700089454e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.945466589693751e-11 PASS
Q(-2)[step 50] -4.687349753661720e+00 -4.687349753662680e+00 1.000000000000000e-12 9.601208716958354e-13 PASS
Q(-2)[step 75] -4.392410657028147e+00 -4.392410657028165e+00 4.390000000000000e-14 1.776356839400250e-14 PASS
Q(-2)[step 100] -4.181622432525377e+00 -4.181622432525399e+00 4.180000000000000e-14 2.220446049250313e-14 PASS
Q(-1)[step 1] 4.178298639726235e+00 4.178298639726180e+00 2.090000000000000e-13 5.506706202140776e-14 PASS
Q(-1)[step 25] 4.182239910020139e+00 4.182239910020090e+00 2.090000000000000e-13 4.884981308350689e-14 PASS
Q(-1)[step 50] 4.130776137010058e+00 4.130776137010026e+00 4.130000000000000e-14 3.286260152890463e-14 PASS
Q(-1)[step 75] 4.064950972547138e+00 4.064950972547106e+00 5.600000000000000e-14 3.197442310920451e-14 PASS
Q(-1)[step 100] 4.091822670232434e+00 4.091822670233270e+00 1.000000000000000e-12 -8.366640713575180e-13 PASS
Q( 0)[step 1] -7.137608303968113e+00 -7.137608303968200e+00 3.570000000000000e-12 8.704148513061227e-14 PASS
Q( 0)[step 25] -7.469922011510152e+00 -7.469922011510200e+00 3.730000000000000e-13 4.796163466380676e-14 PASS
Q( 0)[step 50] -7.808731999289103e+00 -7.808731999289140e+00 3.900000000000000e-13 3.730349362740526e-14 PASS
Q( 0)[step 75] -7.739446597993671e+00 -7.739446597993680e+00 3.870000000000000e-13 9.769962616701378e-15 PASS
Q( 0)[step 100] -7.648056564564799e+00 -7.648056564565430e+00 1.000000000000000e-12 6.314948564067890e-13 PASS
Q( 1)[step 1] -4.826111654801438e+00 -4.826111654803580e+00 2.370000000000000e-12 2.142286348316702e-12 PASS
Q( 1)[step 25] -4.732913242624210e+00 -4.732913242624240e+00 2.370000000000000e-13 2.930988785010413e-14 PASS
Q( 1)[step 50] -4.489489823162517e+00 -4.489489823162540e+00 2.240000000000000e-13 2.309263891220326e-14 PASS
Q( 1)[step 75] -4.327519808485389e+00 -4.327519808485425e+00 4.590000000000000e-14 3.641531520770513e-14 PASS
Q( 1)[step 100] -4.287582681175208e+00 -4.287582681175240e+00 2.140000000000000e-13 3.197442310920451e-14 PASS
Q( 2)[step 1] 1.189101961133258e+01 1.189101961133255e+01 1.190000000000000e-13 3.375077994860476e-14 PASS
Q( 2)[step 25] 1.233968578911680e+01 1.233968578911680e+01 6.170000000000000e-13 -3.552713678800501e-15 PASS
Q( 2)[step 50] 1.278029271318794e+01 1.278029271318795e+01 1.280000000000000e-13 -5.329070518200751e-15 PASS
Q( 2)[step 75] 1.272948913185605e+01 1.272948913185600e+01 6.360000000000000e-12 4.440892098500626e-14 PASS
Q( 2)[step 100] 1.255133064623377e+01 1.255133064623380e+01 6.280000000000001e-13 -3.019806626980426e-14 PASS
Compare to other inputs