Dear Qiao, You defined two vectors for your lattice but your points have 3 coordinates ! (More over, for the last atom, you put only 2) Add a vector for the third direction and correct your coordinates. I hope this helps. Adel On Fri, Dec 15, 2017 at 12:03 PM, cqhy1127 <cqhy1127@aliyun.com> wrote:
Dear Professors,
I want to build a phosphorene lattice and I used the following code
_________________________________________________________ ax = 0.443 ay = 0.327 alpha = 98.15*(np.pi/180) beta = 103.69*(np.pi/180) theta = np.arccos(-np.cos(beta)/np.cos(alpha/2)) s = 0.5*ax-a*np.cos(alpha/2) h = b*np.sin(theta)
# (ax,0) and (0, ay) are primitive vectors of the phosphorene vectors # (-s/2,-ay/2,h),(s/2,-ay/2,0.0),(ax/2-s/2,0,0.0),(ax/2+s/2,h) are corrdinates of four basis atoms. lat=kwant.lattice.general([(ax,0),(0,ay)], [(-s/2,-ay/2,h),(s/2,-ay/2,0. 0),(ax/2-s/2,0,0.0),(ax/2+s/2,h)] ) a,b,c,d=lat.sublattices ____________________________________________________________ _______________ It report an error like this
File "D:\Users\gongcheng5\Anaconda3\lib\site-packages\ kwant\lattice.py", line 95, in __init__ basis = ta.array(basis, float)
ValueError: Input has irregular shape.
Would you like to help me to find the bug? Thank you!
Regards,
Qiao Chen
University of Antwerp Condensed Matter Theory Department of Physics
-- Abbout Adel