Need your kind help and guideline: How to install Twister

[Abid Rehman]

Hi twister team,

First of all thanks for writing this fruitful code. I am interested to use your code for creating the twisted homobilayer super latices. But I am facing issues in the following and need your kind help to resolve it:

(i)   Because I don't have much knowledge of python and don know how to install the twister code. How can I install this code? Please guide about it.  

(ii) How can I run this code using the shell terminal on computer for constructing twisted bilayers? Although, you have provided the examples but there is no detail available how can i run this code to repeat the tutorials you provided. 

Thank You and looking forward for your nice response.

Abid Rehman Hussain

Iran

 

[Saismit HNaik]

Hello Abid,

i) You can download the Twister package from this GitHub repository: https://github.com/qtm-iisc/Twister
   You will need Numpy, Scipy and Matplotlib packages installed for running the codes in Python3. 
ii) The details for running each example are provided in the README file. 

Summary of steps to follow:
1) In the terminal, enter the folder containing the Twister package and go to the directory of the example that you wish to run. It must contain the input file: get_ang.inp  
     E.g  Twister/examples/Heterobilayer/Mos2_mose2/Mos2_mose2_16.1021  
2)  From that directory, run the following command:  python3 path_to_Twister/SRC/get_ang.py 
     'path_to_Twister' needs to be replaced by the address to the folder containing the SRC folder
3)  Once you run get_ang.py, 'twist.inp' will be generated with the new lattice parameters, superlattice vectors (n1,n2; n1',n2') and twist-angle.
4)  Run:   python3 path_to_Twister/SRC/twister.py

     to obtain the atom positions in the superlattice.
5)  The Ref folder contains expected output files for reference


Regards,
Saismit