Match Hartree energy
Commits >
Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd >
Run spack_foss-2023a_serial >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988936388270000e+03 | 3.988936413230000e+03 | 2.750000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)