EMorbit

Program: EMorbit

A simple program to list all the equivalent positions for a given position and crystal structure.

  Enter xtal file name : Al.xtal
  Enter fractional coordinates of atom : 0.5,0.5,0.0
   # equivalent atoms in orbit        :  4
   1 -> ( 0.5000, 0.5000, 0.0000);      2 -> ( 0.5000, 0.0000, 0.5000);   
   3 -> ( 0.0000, 0.5000, 0.5000);      4 -> ( 0.0000, 0.0000, 0.0000);   
  Another orbit ? (1/0) 0