Fix issue #19

JuDFTteam · Jun 26, 2019 · 0628b93 · 0628b93
1 parent ef64d11
commit 0628b93
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/aiida_kkr/calculations/kkr.py b/aiida_kkr/calculations/kkr.py
@@ -300,7 +300,7 @@ def prepare_for_submission(self, tempfolder):
             tempr = parameters.get_dict().get('TEMPR')
             if tempr is None or tempr>100.:
                 change_values.append(['TEMPR', 50.])
-            N1 = parameters.get_dict().get('TEMPR')
+            N1 = parameters.get_dict().get('NPT1')
             if N1 is None or N1>0:
                 change_values.append(['NPT1', 0])
             N2 = parameters.get_dict().get('NPT2')