diff --git a/lib/__pycache__/cmmde_hubbard.cpython-310.pyc b/lib/__pycache__/cmmde_hubbard.cpython-310.pyc index e57184f..a8b613b 100644 Binary files a/lib/__pycache__/cmmde_hubbard.cpython-310.pyc and b/lib/__pycache__/cmmde_hubbard.cpython-310.pyc differ diff --git a/lib/cmmde_hubbard.py b/lib/cmmde_hubbard.py index 406ab7d..db51236 100644 --- a/lib/cmmde_hubbard.py +++ b/lib/cmmde_hubbard.py @@ -23,7 +23,8 @@ def azimuth(element): 'Ni' : '3', 'Co' : '3', 'Ti' : '3', - 'C' : '2' + 'C' : '2', + 'Si': '3' } return azimuth[element]