Match Initial energy
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss-serial-min: [foss2023b-serial] >
Input 19-td_move_ions.01-gs.inp
Value | Reference | Precision | Status |
-2.964437820000000e+01 | -2.964437820000000e+01 | 1.480000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)