

In [1]:

    
%matplotlib inline

扩展supercell



In [2]:

    
nodes, edges = [], []

创建nodes 和 edges

top位相关



In [3]:

    
from catplot.grid_components.nodes import Node2D
from catplot.grid_components.edges import Edge2D



In [4]:

    
top = Node2D([0.0, 0.0], size=800, color="#2A6A9C")



In [5]:

    
t1 = Node2D([0.0, 1.0])
t2 = Node2D([1.0, 0.0])



In [6]:

    
nodes.append(top)



In [7]:

    
e1 = Edge2D(top, t1, width=4)
e2 = Edge2D(top, t2, width=4)



In [8]:

    
edges.extend([e1, e2])

bridge相关



In [9]:

    
bridge1 = Node2D([0.0, 0.5], style="s", size=600, color="#5A5A5A", alpha=0.6)
bridge2 = Node2D([0.5, 0.0], style="s", size=600, color="#5A5A5A", alpha=0.6)



In [10]:

    
b1 = bridge1.clone([0.5, 0.5])
b2 = bridge2.clone([0.5, 0.5])



In [11]:

    
nodes.extend([bridge1, bridge2])



In [12]:

    
e1 = Edge2D(bridge1, b1)
e2 = Edge2D(bridge1, bridge2)
e3 = Edge2D(bridge2, b2)
e4 = Edge2D(b1, b2)



In [13]:

    
edges.extend([e1, e2, e3, e4])

hollow位



In [14]:

    
h = Node2D([0.5, 0.5], style="h", size=700, color="#5A5A5A", alpha=0.3)



In [15]:

    
nodes.append(h)

绘制



In [16]:

    
from catplot.grid_components.grid_canvas import Grid2DCanvas



In [17]:

    
canvas = Grid2DCanvas()



In [18]:

    
from catplot.grid_components.supercell import SuperCell2D



In [19]:

    
supercell = SuperCell2D(nodes, edges, cell_vectors=[[1.0, 0.0],
                                                    [0.5, 1.0]])



In [20]:

    
canvas.add_supercell(supercell)



In [21]:

    
canvas.draw()
canvas.figure









    Out[21]:

将此supercell进行扩展



In [22]:

    
expanded_supercell = supercell.expand(3, 3)

绘制



In [23]:

    
canvas_big = Grid2DCanvas(figsize=(30, 20), dpi=60)



In [24]:

    
canvas_big.add_supercell(expanded_supercell)



In [25]:

    
canvas_big.draw()
canvas_big.figure









    Out[25]: