Unverified Commit 50d1bc34 authored by oekosheri's avatar oekosheri Committed by GitHub
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Update README.md

parent 45a384b7
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+22 −1
Original line number Diff line number Diff line
@@ -21,12 +21,13 @@ _First mode:
  indices of the rotation axis such as 1 0 0, 1 1 1, 1 1 0 and so on. The limit
  is the maximum Sigma of interest.
  (the limit by default: 100)_
  
  _ex:_

```
> python csl_generator.py 1 1 1 50 

...
  List of possible CSLs for [1 1 1] axis sorted by Sigma
Sigma:     1  Theta:   0.00
Sigma:     3  Theta:  60.00
Sigma:     7  Theta:  38.21
@@ -38,8 +39,28 @@ Sigma: 37 Theta: 50.57
Sigma:    39  Theta:  32.20
Sigma:    43  Theta:  15.18
Sigma:    49  Theta:  43.57
```
Once you pick one of these angles (sigma boundaries) you should use the second mode, decide on a basis, for ex: diamond, and list the GB planes of interest:

```
> python csl_generator.py 1 1 1 diamond 13

----------List of possible CSL planes for Sigma 13---------
 GB1---------------GB2-------------Type----------Number of Atoms
[ 2  1 -2]             [ 1  2 -2]             Mixed                  3744
[-1 -1 -1]             [-1 -1 -1]             Twist                  1248
[1 1 1]                [1 1 1]                Twist                  1248
[-1  2 -2]             [-2  2 -1]             Mixed                  3744
[ 1 -2  2]             [ 2 -2  1]             Mixed                  3744
[-2 -1  2]             [-1 -2  2]             Mixed                  3744
[-3 -2  1]             [-2 -3  1]             Mixed                  2912
[ 0 -3  1]             [ 1 -3  0]             Mixed                  2080
[ 1  3 -4]             [-1  4 -3]             Symmetric Tilt         1248
  ...
```
Which you can write to a file if you wish.