Input 08-constrain.02-gs_dir.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 5.100000000000000e-05 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 1.000000000000000e+00 1.000000000000000e+00 5.100000000000000e-05 0.000000000000000e+00 PASS
Total Magnetic Moment - z 0.000000000000000e+00 0.000000000000000e+00 5.100000000000000e-05 0.000000000000000e+00 PASS
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