This code was written by Ji-Sang to run sxdefectalign easily.

Input parameters:

(1) Dielectric constant (string)

• (e.g.) eps = '10'

(2) Location of folders (string)

• bulk (e.g) 'bulk'
• charged (e.g.) '1'
• neutral (e.g.) '0'

(3) Direction (0, 1, or 2) (string or int)

• direction = 0

(4) Index of defect x (int)

• center = map(float,getCenter(defect,x))
• -1 = last atom
• integer i = ith atom