Input 03-xc.gga_c_lyp.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run autotools_foss_mpi_omp: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_c_lyp Eigenvalue up | -5.414600000000001e-01 | -5.414225000000000e-01 | 4.130000000000000e-05 | -3.750000000002363e-05 | PASS |
| gga_c_lyp Eigenvalue dn | -5.890700000000000e-01 | -5.890445000000000e-01 | 2.810000000000000e-05 | -2.550000000001162e-05 | PASS |
| gga_c_lyp Correlation | -1.069982000000000e-02 | -1.069975500000000e-02 | 7.150000000000000e-08 | -6.500000000048134e-08 | PASS |
| gga_c_lyp Int[n*v_xc] | -1.708275000000000e-02 | -1.708247500000000e-02 | 3.030000000000000e-07 | -2.750000000009689e-07 | PASS |