Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680691e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111989219765746e-09 |
PASS |
| Energy [step 2] |
-1.058224115547652e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.171875537892447e-09 |
PASS |
| Energy [step 3] |
-1.058220088750415e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.426551817957261e-09 |
PASS |
| Energy [step 4] |
-1.058217200953836e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.684901521225584e-09 |
PASS |
| Forces [step 1] |
-2.249921906391716e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.582716565230797e-09 |
PASS |
| Forces [step 2] |
-2.378889624673697e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.859518741764710e-08 |
PASS |
| Forces [step 3] |
-2.490734861344118e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.598996033999825e-07 |
PASS |
| Forces [step 4] |
-2.574436651944496e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
7.997591816577554e-08 |
PASS |