diff --git a/apex/core/property/Interstitial.py b/apex/core/property/Interstitial.py index ab22d6e..3355fab 100644 --- a/apex/core/property/Interstitial.py +++ b/apex/core/property/Interstitial.py @@ -186,10 +186,10 @@ def make_confs(self, path_to_work, path_to_equi, refine=False): if self.inter_param["type"] == "abacus": ss = abacus_utils.stru2Structure(equi_contcar) - orig_ss = abacus_utils.stru2Structure(orig_poscar) + # orig_ss = abacus_utils.stru2Structure(orig_poscar) else: ss = Structure.from_file(equi_contcar) - orig_ss = Structure.from_file(orig_poscar) + # orig_ss = Structure.from_file(orig_poscar) # get structure type os.chdir(self.path_to_work)