Input 08-constrain.01-gs.inp

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Magnetic Moment - x 0.000000000000000e+00 0.000000000000000e+00 5.100000000000000e-05 0.000000000000000e+00 PASS
Total Magnetic Moment - y 8.000000000000000e-01 8.000000000000000e-01 5.100000000000000e-05 0.000000000000000e+00 PASS
Total Magnetic Moment - z 6.000000000000000e-01 6.000000000000000e-01 5.100000000000000e-05 0.000000000000000e+00 PASS
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