Input 21-magnon.01-gs.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_ppc_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -1.239098609200000e+02 -1.239098609400000e+02 6.200000000000000e-08 2.000000165480742e-08 PASS
Ion-ion energy -7.831680646000000e+01 -7.831680646000000e+01 3.920000000000000e-07 0.000000000000000e+00 PASS
Eigenvalues sum -1.743911911000000e+01 -1.743911910000000e+01 8.720000000000000e-07 -1.000000082740371e-08 PASS
Hartree energy 2.857300972000000e+01 2.857300972000000e+01 1.430000000000000e-07 3.552713678800501e-15 PASS
Exchange energy -1.562985609000000e+01 -1.562985608000000e+01 7.810000000000000e-08 -9.999999051046871e-09 PASS
Correlation energy -1.341657960000000e+00 -1.341657960000000e+00 6.710000000000000e-08 0.000000000000000e+00 PASS
Kinetic energy 5.146093105000000e+01 5.146093104000001e+01 2.570000000000000e-07 9.999993721976352e-09 PASS
External energy -1.086554811700000e+02 -1.086554811600000e+02 5.430000000000000e-08 -1.000000793283107e-08 PASS
Total xc torque x -3.065000000000000e-33 1.760000000000000e-30 2.890000000000000e-29 -1.763065000000000e-30 PASS
Total xc torque y -3.065000000000000e-33 1.760000000000000e-30 2.890000000000000e-29 -1.763065000000000e-30 PASS
Total xc torque z -3.065000000000000e-33 1.760000000000000e-30 2.890000000000000e-29 -1.763065000000000e-30 PASS
k-point 2 (x) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 2 (y) 5.000000000000000e-01 5.000000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 2 (z) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -3.262886000000000e+00 -3.262886000000000e+00 1.630000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 2 -3.255390000000000e+00 -3.255390000000000e+00 1.630000000000000e-04 4.440892098500626e-16 PASS
Eigenvalue 3 -1.932548000000000e+00 -1.932548000000000e+00 9.660000000000001e-06 2.220446049250313e-16 PASS
Eigenvalue 4 -1.924243000000000e+00 -1.924243000000000e+00 9.619999999999999e-06 0.000000000000000e+00 PASS
Eigenval in k-space 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Eigenval in k-space 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Eigenval in k-space 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Eigenval in k-space 8.000000000000000e+00 8.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
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