Match Hartree energy
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Run spack_foss-2022a_cuda_serial >
Input 16-platinum_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.021577801100000e+02 | 1.021577808600000e+02 | 8.300000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)