Match Hartree energy
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run valgrind: [foss2023a-serial] >
Input 12-boron_nitride.01-gs.inp
Value | Reference | Precision | Status |
-5.236158348900000e+02 | -5.236158307700000e+02 | 7.780000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)