Input 10-berkeleygw.02-unocc.inp

Commits > Commit a4341ac9f169107ec4cef5019cc6269df7c401ac > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
k-point 1 (x) 0.000000000000000e+00 0.000000000000000e+00 9.820000000000001e-08 0.000000000000000e+00 PASS
k-point 1 (y) 0.000000000000000e+00 0.000000000000000e+00 9.820000000000001e-08 0.000000000000000e+00 PASS
k-point 1 (z) 1.000000000000000e-02 1.000000000000000e-02 9.820000000000001e-08 0.000000000000000e+00 PASS
Eigenvalue 1 -2.869590000000000e-01 -2.869590000000000e-01 1.430000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 8 4.600300000000000e-02 4.600300000000000e-02 2.300000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 16 1.513130000000000e-01 1.513130000000000e-01 7.570000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 18 1.614460000000000e-01 1.614600000000000e-01 8.070000000000000e-05 -1.399999999998625e-05 PASS
Eigenvalue 26 2.821220000000000e-01 2.821220000000000e-01 1.410000000000000e-05 0.000000000000000e+00 PASS
WFN 2.320400000000000e+05 2.320400000000000e+05 1.410000000000000e-05 0.000000000000000e+00 PASS
vxc k 1 z 1.000000000000000e-02 1.000000000000000e-02 5.000000000000000e-02 -1.734723475976807e-18 PASS
vxc k 1 diag 2.600000000000000e+01 2.600000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
vxc k 1 offdiag 6.760000000000000e+02 6.760000000000000e+02 1.000000000000000e-01 0.000000000000000e+00 PASS
vxc k 1 2 Re -1.084409532000000e+01 -1.084409532000000e+01 5.420000000000000e-08 0.000000000000000e+00 PASS
vxc k 1 2 Im -1.016183624000000e-18 0.000000000000000e+00 1.000000000000000e-10 -1.016183624000000e-18 PASS
vxc k 1 8 8 Re -1.062546795000000e+01 -1.062546795000000e+01 5.310000000000000e-08 0.000000000000000e+00 PASS
vxc k 1 8 8 Im -3.651129933000000e-17 0.000000000000000e+00 1.000000000000000e-10 -3.651129933000000e-17 PASS
x k 1 z 1.000000000000000e-02 1.000000000000000e-02 5.000000000000000e-02 -1.734723475976807e-18 PASS
x k 1 diag 2.600000000000000e+01 2.600000000000000e+01 1.000000000000000e-01 0.000000000000000e+00 PASS
x k 1 offdiag 6.760000000000000e+02 6.760000000000000e+02 1.000000000000000e-01 0.000000000000000e+00 PASS
x k 1 2 Re -8.793483060000000e+00 -8.793483062000000e+00 4.400000000000000e-08 2.000000165480742e-09 PASS
x k 1 2 Im -1.360348360000000e-16 0.000000000000000e+00 1.000000000000000e-10 -1.360348360000000e-16 PASS
x k 1 8 8 Re -6.959579055000000e+00 -6.959579054000001e+00 3.480000000000000e-08 -9.999991945619513e-10 PASS
x k 1 8 8 Im 3.761586791000000e-17 0.000000000000000e+00 1.000000000000000e-10 3.761586791000000e-17 PASS
Compare to other inputs