Input 06-cubic.18-spg212.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Space group 2.120000000000000e+02 2.120000000000000e+02 1.000000000000000e-04 0.000000000000000e+00 PASS
No. of symmetries 3.000000000000000e+00 3.000000000000000e+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
Total k-points 6.400000000000000e+01 6.400000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Reduced k-points 1.400000000000000e+01 1.400000000000000e+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 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 6 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 7 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 8 4.690000000000000e-02 4.688000000000000e-02 1.000000000000000e-04 1.999999999999919e-05 PASS
kpt 9 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-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 9.379999999999999e-02 9.375000000000000e-02 1.000000000000000e-04 4.999999999999449e-05 PASS
kpt 14 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
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