Input 10-bomd.03-td_restart.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-serial-full: [foss2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 1] | -1.058125198644085e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.143773572693135e-09 | PASS |
Energy [step 2] | -1.058226791295481e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.848031475215066e-09 | PASS |
Energy [step 3] | -1.058222764047261e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.401341596211751e-09 | PASS |
Energy [step 4] | -1.058219875849922e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.670202002898804e-09 | PASS |
Forces [step 1] | -2.249842031429003e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.647628113063078e-09 | PASS |
Forces [step 2] | -2.378811150303440e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.169974916565458e-08 | PASS |
Forces [step 3] | -2.490665755074339e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 2.451297290984034e-07 | PASS |
Forces [step 4] | -2.574370893390966e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.170037420312632e-07 | PASS |