Input 03-xc.gga_c_lm.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
gga_c_lm Eigenvalue up (libxc5) -5.901500000000000e-01 -5.902250000000000e-01 8.250000000000000e-05 7.500000000004725e-05 PASS
gga_c_lm Eigenvalue dn (libxc5) -6.502820000000000e-01 -6.503380000000000e-01 6.160000000000001e-05 5.599999999994498e-05 PASS
gga_c_lm Correlation (libxc5) -7.244122000000000e-02 -7.244304000000000e-02 2.000000000000000e-06 1.819999999999600e-06 PASS
gga_c_lm Int[n*v_xc] (libxc5) -6.834678000000000e-02 -6.834823000000000e-02 1.600000000000000e-06 1.450000000000062e-06 PASS
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