Input 10-berkeleygw.02-unocc.inp

Commits > Commit abc749737cc12a5b79d975879ed425be2e62065f > Run spack_foss-2022a_serial_debug

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 -1.084409531000000e+01 -1.084409532000000e+01 5.420000000000000e-08 9.999999051046871e-09 PASS
vxc k 1 2 Im -1.939662777000000e-17 0.000000000000000e+00 1.000000000000000e-10 -1.939662777000000e-17 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 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 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 -8.793483066000000e+00 -8.793483062000000e+00 4.400000000000000e-08 -4.000000330961484e-09 PASS
x k 1 2 Im 1.882613872000000e-17 0.000000000000000e+00 1.000000000000000e-10 1.882613872000000e-17 PASS
x k 1 8 8 Re -6.959579057000000e+00 -6.959579054000001e+00 3.480000000000000e-08 -2.999999360042693e-09 PASS
x k 1 8 8 Im 2.920903947000000e-16 0.000000000000000e+00 1.000000000000000e-10 2.920903947000000e-16 PASS
Compare to other inputs