Input 10-bomd.03-td_restart.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525102990e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.110999789006200e-09 PASS
Energy [step 2] -1.058224116952744e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.879039560203637e-09 PASS
Energy [step 3] -1.058220090254997e+01 -1.058220089493070e+01 1.750000000000000e-08 -7.619266995106955e-09 PASS
Energy [step 4] -1.058217202582961e+01 -1.058217201622326e+01 1.880000000000000e-08 -9.606353046365257e-09 PASS
Forces [step 1] -2.249921734803390e-01 -2.249921820564550e-01 6.550000000000000e-08 8.576116011793644e-09 PASS
Forces [step 2] -2.378888997196157e-01 -2.378889438721823e-01 9.500000000000000e-07 4.415256660283973e-08 PASS
Forces [step 3] -2.490729860991091e-01 -2.490739460340152e-01 1.480000000000000e-06 9.599349060640527e-07 PASS
Forces [step 4] -2.574434287830975e-01 -2.574437451703678e-01 2.180000000000000e-06 3.163872702716120e-07 PASS
Compare to other inputs