Input 03-xc.gga_c_xpbe.inp

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

Matches

Name Value Reference Precision Difference Status
gga_c_xpbe Eigenvalue up -6.270310000000000e-01 -5.456575000000000e-01 4.130000000000000e-05 -8.137349999999999e-02 FAIL
gga_c_xpbe Eigenvalue dn 1.493621100000000e+01 -5.878190000000000e-01 2.860000000000000e-05 1.552403000000000e+01 FAIL
gga_c_xpbe Correlation 0.000000000000000e+00 -1.404643000000000e-02 1.650000000000000e-07 1.404643000000000e-02 FAIL
gga_c_xpbe Int[n*v_xc] 0.000000000000000e+00 -2.022469000000000e-02 2.200000000000000e-07 2.022469000000000e-02 FAIL
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