S/N | ECUT (Ry) | ETOT (Ry) |
1 | 12 | −2391.11794851 |
2 | 16 | −2405.62513615 |
3 | 20 | −2412.08433421 |
4 | 24 | −2415.06686281 |
5 | 28 | −2416.41157927 |
6 | 32 | −2416.43214121 |
7 | 36 | −2417.28052871 |