Input 03-xc.gga_c_pbe.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_c_pbe Eigenvalue up -6.273490000000000e-01 -5.460245000000000e-01 4.130000000000000e-05 -8.132450000000002e-02 FAIL
gga_c_pbe Eigenvalue dn 1.110184300000000e+01 -5.892410000000000e-01 2.860000000000000e-05 1.169108400000000e+01 FAIL
gga_c_pbe Correlation 0.000000000000000e+00 -1.453929500000000e-02 1.380000000000000e-07 1.453929500000000e-02 FAIL
gga_c_pbe Int[n*v_xc] 0.000000000000000e+00 -2.080331000000000e-02 1.870000000000000e-07 2.080331000000000e-02 FAIL
Compare to other inputs