Input 15-crank_nicolson.05-freeze_sae.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -5.571785867386850e-01 -5.571785867386825e-01 6.260000000000001e-14 -2.553512956637860e-15 PASS
Energy [step 5] -5.157175387707452e-01 -5.157175387707220e-01 5.360000000000000e-14 -2.320366121466577e-14 PASS
Energy [step 10] -5.157175387705809e-01 -5.157175387705686e-01 4.190000000000000e-14 -1.232347557333924e-14 PASS
Energy [step 15] -5.157175387705303e-01 -5.157175387705311e-01 4.380000000000000e-14 7.771561172376096e-16 PASS
Energy [step 20] -5.157175387705365e-01 -5.157175387705559e-01 4.870000000000000e-14 1.942890293094024e-14 PASS
Dipole [step 1] -2.866149608908618e-15 -7.379220068245151e-16 2.960000000000000e-15 -2.128227602084103e-15 PASS
Dipole [step 5] -1.928249235315513e-01 -1.928249235315500e-01 9.640000000000000e-14 -1.304512053934559e-15 PASS
Dipole [step 10] -3.545506487499305e-01 -3.545506487499300e-01 1.770000000000000e-14 -4.996003610813204e-16 PASS
Dipole [step 15] -4.859711921536423e-01 -4.859711921536400e-01 2.430000000000000e-14 -2.331468351712829e-15 PASS
Dipole [step 20] -6.087147749202609e-01 -6.087147749202590e-01 3.040000000000000e-14 -1.887379141862766e-15 PASS
Compare to other inputs