diff --git a/dpdata/vasp/outcar.py b/dpdata/vasp/outcar.py index b382a99e0..a99332603 100644 --- a/dpdata/vasp/outcar.py +++ b/dpdata/vasp/outcar.py @@ -15,7 +15,7 @@ def system_info (lines, type_idx_zero = False) : atom_names.append(_ii) elif 'NELM' in ii and nelm == None: # will read only first nelm - nelm = int(ii.split()[2][:-1]) + nelm = int(ii.split()[2].rstrip(";")) elif 'ions per type' in ii : atom_numbs_ = [int(s) for s in ii.split()[4:]] if atom_numbs is None :