Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086067e+01 -2.319580964086080e+01 1.160000000000000e-12 1.350031197944190e-13 PASS
Energy [step 25] -2.306754404347962e+01 -2.306754404347960e+01 1.150000000000000e-12 -1.776356839400250e-14 PASS
Energy [step 50] -2.306760129759908e+01 -2.306760129759910e+01 1.150000000000000e-13 2.486899575160351e-14 PASS
Energy [step 75] -2.306766261145398e+01 -2.306766261145400e+01 1.150000000000000e-11 1.776356839400250e-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] 4.378813412511269e-02 4.378813412511501e-02 5.110000000000000e-15 -2.317590563905014e-15 PASS
Lx [step 50] 7.223501819492960e-03 7.223501819495281e-03 5.350000000000000e-15 -2.321060010856968e-15 PASS
Lx [step 75] -1.948269821028831e-02 -1.948269821028625e-02 8.660000000000000e-15 -2.060851489460447e-15 PASS
Lx [step 100] -3.047203125192966e-02 -3.047203125192880e-02 6.000000000000000e-15 -8.604228440844963e-16 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808361e-02 -7.184641094808490e-02 4.130000000000000e-15 1.290634266126744e-15 PASS
Ly [step 50] -7.117769255690361e-03 -7.117769255689680e-03 6.500000000000000e-15 -6.808789643208968e-16 PASS
Ly [step 75] -4.172081222576626e-02 -4.172081222576260e-02 5.850000000000000e-15 -3.656797087359109e-15 PASS
Ly [step 100] -5.777213620121303e-02 -5.777213620121158e-02 9.120000000000000e-15 -1.457167719820518e-15 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644950e-02 -9.756204043644941e-02 4.880000000000000e-15 -9.714451465470120e-17 PASS
Lz [step 50] 7.712993009738697e-03 7.712993009730000e-03 3.860000000000000e-13 8.697036146809722e-15 PASS
Lz [step 75] 7.208148635269918e-02 7.208148635269590e-02 8.660000000000000e-15 3.275157922644212e-15 PASS
Lz [step 100] 5.119310678838601e-02 5.119310678838490e-02 9.139999999999999e-15 1.110223024625157e-15 PASS
Q(-2)[step 1] -4.545099285100735e+00 -4.545099285100750e+00 2.270000000000000e-13 1.509903313490213e-14 PASS
Q(-2)[step 25] -4.611640700089465e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.946532403797391e-11 PASS
Q(-2)[step 50] -4.687349753661737e+00 -4.687349753662680e+00 1.000000000000000e-12 9.432454817215330e-13 PASS
Q(-2)[step 75] -4.392410657028171e+00 -4.392410657028165e+00 4.390000000000000e-14 -6.217248937900877e-15 PASS
Q(-2)[step 100] -4.181622432525411e+00 -4.181622432525399e+00 4.180000000000000e-14 -1.154631945610163e-14 PASS
Q(-1)[step 1] 4.178298639726174e+00 4.178298639726180e+00 2.090000000000000e-13 -6.217248937900877e-15 PASS
Q(-1)[step 25] 4.182239910020075e+00 4.182239910020090e+00 2.090000000000000e-13 -1.509903313490213e-14 PASS
Q(-1)[step 50] 4.130776137010017e+00 4.130776137010026e+00 4.130000000000000e-14 -8.881784197001252e-15 PASS
Q(-1)[step 75] 4.064950972547105e+00 4.064950972547106e+00 5.600000000000000e-14 -1.776356839400250e-15 PASS
Q(-1)[step 100] 4.091822670232411e+00 4.091822670233270e+00 1.000000000000000e-12 -8.588685318500211e-13 PASS
Q( 0)[step 1] -7.137608303968219e+00 -7.137608303968200e+00 3.570000000000000e-12 -1.865174681370263e-14 PASS
Q( 0)[step 25] -7.469922011510209e+00 -7.469922011510200e+00 3.730000000000000e-13 -8.881784197001252e-15 PASS
Q( 0)[step 50] -7.808731999289124e+00 -7.808731999289140e+00 3.900000000000000e-13 1.598721155460225e-14 PASS
Q( 0)[step 75] -7.739446597993714e+00 -7.739446597993680e+00 3.870000000000000e-13 -3.375077994860476e-14 PASS
Q( 0)[step 100] -7.648056564564786e+00 -7.648056564565430e+00 1.000000000000000e-12 6.448175327022909e-13 PASS
Q( 1)[step 1] -4.826111654801454e+00 -4.826111654803580e+00 2.370000000000000e-12 2.126299136762100e-12 PASS
Q( 1)[step 25] -4.732913242624247e+00 -4.732913242624240e+00 2.370000000000000e-13 -7.105427357601002e-15 PASS
Q( 1)[step 50] -4.489489823162564e+00 -4.489489823162540e+00 2.240000000000000e-13 -2.398081733190338e-14 PASS
Q( 1)[step 75] -4.327519808485448e+00 -4.327519808485425e+00 4.590000000000000e-14 -2.309263891220326e-14 PASS
Q( 1)[step 100] -4.287582681175266e+00 -4.287582681175240e+00 2.140000000000000e-13 -2.575717417130363e-14 PASS
Q( 2)[step 1] 1.189101961133260e+01 1.189101961133255e+01 1.190000000000000e-13 5.151434834260726e-14 PASS
Q( 2)[step 25] 1.233968578911676e+01 1.233968578911680e+01 6.170000000000000e-13 -3.907985046680551e-14 PASS
Q( 2)[step 50] 1.278029271318787e+01 1.278029271318795e+01 1.280000000000000e-13 -8.171241461241152e-14 PASS
Q( 2)[step 75] 1.272948913185597e+01 1.272948913185600e+01 6.360000000000000e-12 -2.664535259100376e-14 PASS
Q( 2)[step 100] 1.255133064623374e+01 1.255133064623380e+01 6.280000000000001e-13 -5.861977570020827e-14 PASS
Compare to other inputs