diff --git a/DOC.md b/DOC.md index edb6196..52efd57 100644 --- a/DOC.md +++ b/DOC.md @@ -44,6 +44,8 @@ There is no obligation to put any order in the keywords * GENERATOR + **NEVER PUT 1.000 AS FRACTIONNAL OCCUPATION, PUT 0.000 INSTEAD** + atom1 x_frac y_frac z_frac ...