Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 > Run foss-2022a_mpi_omp

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] -2.306754404347965e+01 -2.306754404347960e+01 1.150000000000000e-12 -5.329070518200751e-14 PASS
Energy [step 50] -2.306760129759912e+01 -2.306760129759910e+01 1.150000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 75] -2.306766261145405e+01 -2.306766261145400e+01 1.150000000000000e-11 -4.618527782440651e-14 PASS
Energy [step 100] -2.306771709393760e+01 -2.306771709393760e+01 1.150000000000000e-12 -3.552713678800501e-15 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511395e-02 4.378813412511501e-02 5.110000000000000e-15 -1.061650767297806e-15 PASS
Lx [step 50] 7.223501819495798e-03 7.223501819495281e-03 5.350000000000000e-15 5.169475958410885e-16 PASS
Lx [step 75] -1.948269821028596e-02 -1.948269821028625e-02 8.660000000000000e-15 2.914335439641036e-16 PASS
Lx [step 100] -3.047203125192977e-02 -3.047203125192880e-02 6.000000000000000e-15 -9.714451465470120e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808407e-02 -7.184641094808490e-02 4.130000000000000e-15 8.326672684688674e-16 PASS
Ly [step 50] -7.117769255688883e-03 -7.117769255689680e-03 4.190000000000000e-15 7.971054372113429e-16 PASS
Ly [step 75] -4.172081222576492e-02 -4.172081222576260e-02 5.850000000000000e-15 -2.317590563905014e-15 PASS
Ly [step 100] -5.777213620121395e-02 -5.777213620121158e-02 9.120000000000000e-15 -2.373101715136272e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043645056e-02 -9.756204043644941e-02 4.880000000000000e-15 -1.151856388048600e-15 PASS
Lz [step 50] 7.712993009733798e-03 7.712993009730000e-03 3.860000000000000e-13 3.798177050651219e-15 PASS
Lz [step 75] 7.208148635269240e-02 7.208148635269590e-02 8.660000000000000e-15 -3.497202527569243e-15 PASS
Lz [step 100] 5.119310678838205e-02 5.119310678838490e-02 9.139999999999999e-15 -2.851885394505871e-15 PASS
Q(-2)[step 1] -4.545099285100731e+00 -4.545099285100750e+00 2.270000000000000e-13 1.865174681370263e-14 PASS
Q(-2)[step 25] -4.611640700089475e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.947509400059062e-11 PASS
Q(-2)[step 50] -4.687349753661743e+00 -4.687349753662680e+00 1.000000000000000e-12 9.370282327836321e-13 PASS
Q(-2)[step 75] -4.392410657028166e+00 -4.392410657028165e+00 4.390000000000000e-14 -8.881784197001252e-16 PASS
Q(-2)[step 100] -4.181622432525421e+00 -4.181622432525399e+00 4.180000000000000e-14 -2.131628207280301e-14 PASS
Q(-1)[step 1] 4.178298639726166e+00 4.178298639726180e+00 2.090000000000000e-13 -1.421085471520200e-14 PASS
Q(-1)[step 25] 4.182239910020073e+00 4.182239910020090e+00 2.090000000000000e-13 -1.776356839400250e-14 PASS
Q(-1)[step 50] 4.130776137010026e+00 4.130776137010026e+00 4.130000000000000e-14 0.000000000000000e+00 PASS
Q(-1)[step 75] 4.064950972547124e+00 4.064950972547106e+00 4.390000000000000e-14 1.776356839400250e-14 PASS
Q(-1)[step 100] 4.091822670232428e+00 4.091822670233270e+00 1.000000000000000e-12 -8.419931418757187e-13 PASS
Q( 0)[step 1] -7.137608303968200e+00 -7.137608303968200e+00 3.570000000000000e-12 0.000000000000000e+00 PASS
Q( 0)[step 25] -7.469922011510192e+00 -7.469922011510200e+00 3.730000000000000e-13 7.993605777301127e-15 PASS
Q( 0)[step 50] -7.808731999289115e+00 -7.808731999289140e+00 3.900000000000000e-13 2.486899575160351e-14 PASS
Q( 0)[step 75] -7.739446597993696e+00 -7.739446597993680e+00 3.870000000000000e-13 -1.598721155460225e-14 PASS
Q( 0)[step 100] -7.648056564564764e+00 -7.648056564565430e+00 1.000000000000000e-12 6.661338147750939e-13 PASS
Q( 1)[step 1] -4.826111654801443e+00 -4.826111654803580e+00 2.370000000000000e-12 2.136957277798501e-12 PASS
Q( 1)[step 25] -4.732913242624240e+00 -4.732913242624240e+00 2.370000000000000e-13 0.000000000000000e+00 PASS
Q( 1)[step 50] -4.489489823162547e+00 -4.489489823162540e+00 2.240000000000000e-13 -7.105427357601002e-15 PASS
Q( 1)[step 75] -4.327519808485428e+00 -4.327519808485425e+00 4.590000000000000e-14 -3.552713678800501e-15 PASS
Q( 1)[step 100] -4.287582681175238e+00 -4.287582681175240e+00 2.140000000000000e-13 2.664535259100376e-15 PASS
Q( 2)[step 1] 1.189101961133260e+01 1.189101961133255e+01 1.190000000000000e-13 5.506706202140776e-14 PASS
Q( 2)[step 25] 1.233968578911677e+01 1.233968578911680e+01 6.170000000000000e-13 -2.664535259100376e-14 PASS
Q( 2)[step 50] 1.278029271318788e+01 1.278029271318795e+01 1.280000000000000e-13 -6.572520305780927e-14 PASS
Q( 2)[step 75] 1.272948913185599e+01 1.272948913185600e+01 6.360000000000000e-12 -1.421085471520200e-14 PASS
Q( 2)[step 100] 1.255133064623375e+01 1.255133064623380e+01 6.280000000000001e-13 -4.796163466380676e-14 PASS
Compare to other inputs