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Make supercell internally

Open ttadano opened this issue 2 years ago • 0 comments

Create a supercell structure internally using the input primitive structure and transformation matrix.

  • [x] Generate supercell from primitive cell and transformation matrix. Take care with the ordering
  • [x] Accept a supercell input as well. From the supercell and another input parameter, e.g., PRIMITIVE_CELL matrix, generate the primitive cell.

ttadano avatar Nov 10 '22 10:11 ttadano