fix bug

zadorlab · Dec 14, 2023 · 9e51fd2 · 9e51fd2
1 parent 6dcaff0
commit 9e51fd2
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/pynta/main.py b/pynta/main.py
@@ -130,7 +130,10 @@ def generate_slab(self,skip_launch=False):
                 self.c = a[1]
 
         #construct slab with optimial lattice constant
-        slab = slab_type(symbol=self.metal,size=self.repeats,a=self.a,vacuum=self.vacuum,c=self.c)
+        if self.c:
+            slab = slab_type(symbol=self.metal,size=self.repeats,a=self.a,vacuum=self.vacuum,c=self.c)
+        else:
+            slab = slab_type(symbol=self.metal,size=self.repeats,a=self.a,vacuum=self.vacuum)
         slab.pbc = (True, True, False)
         write(os.path.join(self.path,"slab_init.xyz"),slab)
         self.slab_path = os.path.join(self.path,"slab.xyz")