Input 03-xc.gga_x_pbe_jsjr.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run cmake_foss_2022a_min_mpi

Matches

Name Value Reference Precision Difference Status
gga_x_pbe_jsjr Eigenvalue up -9.580170000000000e-01 -9.579770000000001e-01 4.400000000000000e-05 -3.999999999992898e-05 PASS
gga_x_pbe_jsjr Eigenvalue dn -8.066960000000000e-01 -8.066590000000000e-01 4.070000000000000e-05 -3.699999999995374e-05 PASS
gga_x_pbe_jsjr Exchange -3.072113300000000e-01 -3.072079250000000e-01 3.750000000000000e-06 -3.405000000011871e-06 PASS
gga_x_pbe_jsjr Int[n*v_xc] -3.938528900000000e-01 -3.938486600000000e-01 4.640000000000000e-06 -4.229999999993961e-06 PASS
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