Input 03-xc.gga_c_lyp.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
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 |