Input 03-xc.gga_x_rpbe.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
gga_x_rpbe Eigenvalue up -9.729710000000000e-01 -9.729315000000001e-01 4.350000000000000e-05 -3.949999999997011e-05 PASS
gga_x_rpbe Eigenvalue dn -8.239980000000000e-01 -8.239600000000000e-01 4.180000000000000e-05 -3.799999999998249e-05 PASS
gga_x_rpbe Exchange -3.245047400000000e-01 -3.245010100000000e-01 4.120000000000000e-06 -3.730000000035094e-06 PASS
gga_x_rpbe Int[n*v_xc] -4.092768500000000e-01 -4.092723600000000e-01 4.960000000000000e-06 -4.490000000023642e-06 PASS
Compare to other inputs