Match B3LYP OEP Eigenvalue up
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-ppc: [foss2022a-serial] >
Input 03-xc.b3lyp_oep.inp
Value | Reference | Precision | Status |
-1.019204000000000e+00 | -1.019171000000000e+00 | 3.630000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 up', 3)