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Preparing a Super Cell

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This tutorial shows how to get POSCAR files containing a super cell from an initially smaller cell.

Super cells from p4vasp

  • Open p4vasp by typing p4v on the terminal.
  • Load the primitive cell by clicking on FileLoad system:

Fig XAS 1.png

  • Multiply cell in each direction (enter 3 for each direction) by clicking on EditMultiply Cell:

Fig XAS 2.png

  • Save new system by clicking on FileSave system as:

Fig XAS 3.png