diff --git a/westpy/relaxation.py b/westpy/relaxation.py index ca8ed86..f6f11cc 100644 --- a/westpy/relaxation.py +++ b/westpy/relaxation.py @@ -493,7 +493,7 @@ def _write_new_pw_input(self): for start, line in enumerate(lines): if line: - if line.split()[0] == "ATOMIC_POSITIONS": + if line.split() and line.split()[0] == "ATOMIC_POSITIONS": break # update atomic positions @@ -518,7 +518,7 @@ def _write_new_pw_input(self): for start, line in enumerate(lines): if line: - if line.split()[0] == "ATOMIC_POSITIONS": + if line.split() and line.split()[0] == "ATOMIC_POSITIONS": break # update atomic positions