Input 23-go-na2.01-steep.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Total energy -4.177305900000000e-01 -4.177305500000000e-01 2.090000000000000e-07 -4.000000003445692e-08 PASS
Force [1] -7.420513910000000e-04 -7.420727740000000e-04 2.350000000000000e-08 2.138299999999288e-08 PASS
Force [2] 7.420513910000000e-04 7.420727740000000e-04 2.350000000000000e-08 -2.138299999999288e-08 PASS
Geometry [1] -1.449083000000000e+00 -1.449083000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
Geometry [2] 1.449083000000000e+00 1.449083000000000e+00 7.249999999999999e-08 0.000000000000000e+00 PASS
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