Input 05-hexagonal.13-spg155.inp

Commits > Commit babc485c55a2119a415aa56305cb49f398154cb7 > Run spack_foss-2022a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Space group 1.550000000000000e+02 1.550000000000000e+02 1.000000000000000e-04 0.000000000000000e+00 PASS
No. of symmetries 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
S1 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
S2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
S3 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
S4 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
S5 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
S6 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total k-points 6.400000000000000e+01 6.400000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Reduced k-points 1.300000000000000e+01 1.300000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 1 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 2 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 3 4.690000000000000e-02 4.688000000000000e-02 1.000000000000000e-04 1.999999999999919e-05 PASS
kpt 4 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 5 1.875000000000000e-01 1.875000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 6 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 7 4.690000000000000e-02 4.688000000000000e-02 1.000000000000000e-04 1.999999999999919e-05 PASS
kpt 8 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 9 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 10 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 11 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 12 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 13 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
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