Input 09-angular_momentum.02-td_gipaw.inp

Commits > Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -2.319580964086068e+01 -2.319580964086080e+01 1.160000000000000e-12 1.207922650792170e-13 PASS
Energy [step 25] -2.306754404347962e+01 -2.306754404347960e+01 1.150000000000000e-12 -2.131628207280301e-14 PASS
Energy [step 50] -2.306760129759910e+01 -2.306760129759910e+01 1.150000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 75] -2.306766261145400e+01 -2.306766261145400e+01 1.150000000000000e-11 3.552713678800501e-15 PASS
Energy [step 100] -2.306771709393762e+01 -2.306771709393760e+01 1.150000000000000e-12 -2.486899575160351e-14 PASS
Lx [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lx [step 25] 4.378813412511281e-02 4.378813412511501e-02 5.110000000000000e-15 -2.199629367538591e-15 PASS
Lx [step 50] 7.223501819494535e-03 7.223501819495281e-03 5.350000000000000e-15 -7.459310946700271e-16 PASS
Lx [step 75] -1.948269821028627e-02 -1.948269821028625e-02 8.660000000000000e-15 -1.734723475976807e-17 PASS
Lx [step 100] -3.047203125192743e-02 -3.047203125192880e-02 6.000000000000000e-15 1.373900992973631e-15 PASS
Ly [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 25] -7.184641094808275e-02 -7.184641094808490e-02 4.130000000000000e-15 2.151057110211241e-15 PASS
Ly [step 50] -7.117769255688820e-03 -7.117769255689680e-03 4.190000000000000e-15 8.595554823465079e-16 PASS
Ly [step 75] -4.172081222576297e-02 -4.172081222576260e-02 5.850000000000000e-15 -3.677613769070831e-16 PASS
Ly [step 100] -5.777213620121192e-02 -5.777213620121158e-02 9.120000000000000e-15 -3.400058012914542e-16 PASS
Lz [step 1] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Lz [step 25] -9.756204043644727e-02 -9.756204043644941e-02 4.880000000000000e-15 2.137179322403426e-15 PASS
Lz [step 50] 7.712993009734381e-03 7.712993009730000e-03 3.860000000000000e-13 4.381044138579426e-15 PASS
Lz [step 75] 7.208148635269195e-02 7.208148635269590e-02 8.660000000000000e-15 -3.955169525227120e-15 PASS
Lz [step 100] 5.119310678837968e-02 5.119310678838490e-02 9.139999999999999e-15 -5.218048215738236e-15 PASS
Q(-2)[step 1] -4.545099285100740e+00 -4.545099285100750e+00 2.270000000000000e-13 9.769962616701378e-15 PASS
Q(-2)[step 25] -4.611640700089470e+00 -4.611640700000000e+00 2.310000000000000e-06 -8.947065310849212e-11 PASS
Q(-2)[step 50] -4.687349753661733e+00 -4.687349753662680e+00 1.000000000000000e-12 9.467981954003335e-13 PASS
Q(-2)[step 75] -4.392410657028167e+00 -4.392410657028165e+00 4.390000000000000e-14 -1.776356839400250e-15 PASS
Q(-2)[step 100] -4.181622432525415e+00 -4.181622432525399e+00 4.180000000000000e-14 -1.509903313490213e-14 PASS
Q(-1)[step 1] 4.178298639726163e+00 4.178298639726180e+00 2.090000000000000e-13 -1.687538997430238e-14 PASS
Q(-1)[step 25] 4.182239910020074e+00 4.182239910020090e+00 2.090000000000000e-13 -1.598721155460225e-14 PASS
Q(-1)[step 50] 4.130776137010018e+00 4.130776137010026e+00 4.130000000000000e-14 -7.993605777301127e-15 PASS
Q(-1)[step 75] 4.064950972547114e+00 4.064950972547106e+00 4.390000000000000e-14 7.993605777301127e-15 PASS
Q(-1)[step 100] 4.091822670232424e+00 4.091822670233270e+00 1.000000000000000e-12 -8.464340339742193e-13 PASS
Q( 0)[step 1] -7.137608303968223e+00 -7.137608303968200e+00 3.570000000000000e-12 -2.309263891220326e-14 PASS
Q( 0)[step 25] -7.469922011510209e+00 -7.469922011510200e+00 3.730000000000000e-13 -8.881784197001252e-15 PASS
Q( 0)[step 50] -7.808731999289122e+00 -7.808731999289140e+00 3.900000000000000e-13 1.865174681370263e-14 PASS
Q( 0)[step 75] -7.739446597993714e+00 -7.739446597993680e+00 3.870000000000000e-13 -3.375077994860476e-14 PASS
Q( 0)[step 100] -7.648056564564779e+00 -7.648056564565430e+00 1.000000000000000e-12 6.510347816401918e-13 PASS
Q( 1)[step 1] -4.826111654801458e+00 -4.826111654803580e+00 2.370000000000000e-12 2.121858244663599e-12 PASS
Q( 1)[step 25] -4.732913242624252e+00 -4.732913242624240e+00 2.370000000000000e-13 -1.243449787580175e-14 PASS
Q( 1)[step 50] -4.489489823162558e+00 -4.489489823162540e+00 2.240000000000000e-13 -1.776356839400250e-14 PASS
Q( 1)[step 75] -4.327519808485442e+00 -4.327519808485425e+00 4.590000000000000e-14 -1.687538997430238e-14 PASS
Q( 1)[step 100] -4.287582681175254e+00 -4.287582681175240e+00 2.140000000000000e-13 -1.421085471520200e-14 PASS
Q( 2)[step 1] 1.189101961133260e+01 1.189101961133255e+01 1.190000000000000e-13 5.506706202140776e-14 PASS
Q( 2)[step 25] 1.233968578911678e+01 1.233968578911680e+01 6.170000000000000e-13 -1.776356839400250e-14 PASS
Q( 2)[step 50] 1.278029271318788e+01 1.278029271318795e+01 1.280000000000000e-13 -7.283063041541027e-14 PASS
Q( 2)[step 75] 1.272948913185598e+01 1.272948913185600e+01 6.360000000000000e-12 -1.776356839400250e-14 PASS
Q( 2)[step 100] 1.255133064623375e+01 1.255133064623380e+01 6.280000000000001e-13 -4.618527782440651e-14 PASS
Compare to other inputs