Input 10-bomd.03-td_restart.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058122525103087e+01 -1.058122524391890e+01 7.820000000000000e-09 -7.111973232554192e-09 PASS
Energy [step 2] -1.058224116952781e+01 -1.058224116264840e+01 1.220000000000000e-08 -6.879407266069393e-09 PASS
Energy [step 3] -1.058220090225274e+01 -1.058220089493070e+01 1.750000000000000e-08 -7.322038086954308e-09 PASS
Energy [step 4] -1.058217202505475e+01 -1.058217201622326e+01 1.880000000000000e-08 -8.831495534877831e-09 PASS
Forces [step 1] -2.249921734755655e-01 -2.249921820564550e-01 6.550000000000000e-08 8.580889526710322e-09 PASS
Forces [step 2] -2.378889011975433e-01 -2.378889438721823e-01 9.500000000000000e-07 4.267463898921520e-08 PASS
Forces [step 3] -2.490743574183365e-01 -2.490739460340152e-01 1.480000000000000e-06 -4.113843213027213e-07 PASS
Forces [step 4] -2.574436801115715e-01 -2.574437451703678e-01 2.180000000000000e-06 6.505879629470357e-08 PASS
Compare to other inputs