Input 03-orthorombic.01-spg16.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Space group 1.600000000000000e+01 1.600000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
No. of symmetries 4.000000000000000e+00 4.000000000000000e+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
Total k-points 6.400000000000000e+01 6.400000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
Reduced k-points 2.700000000000000e+01 2.700000000000000e+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 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 3 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 4 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 5 6.250000000000000e-02 6.250000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 6 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 7 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 8 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 9 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 10 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 11 6.250000000000000e-02 6.250000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 12 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 13 6.250000000000000e-02 6.250000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 14 1.250000000000000e-01 1.250000000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 15 6.250000000000000e-02 6.250000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 16 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 17 6.250000000000000e-02 6.250000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 18 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 19 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 20 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 21 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 22 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 23 6.250000000000000e-02 6.250000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
kpt 24 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 25 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
kpt 26 3.120000000000000e-02 3.125000000000000e-02 1.000000000000000e-04 -5.000000000000143e-05 PASS
kpt 27 1.560000000000000e-02 1.563000000000000e-02 1.000000000000000e-04 -3.000000000000225e-05 PASS
Compare to other inputs