Number of atoms
Posted: Tue May 28, 2013 8:37 am
Hi
I have to make hexagonal and fcc structure. But in primitive unit cell ,there are 9 atoms (hcp) and 27atoms +3 vacancies (fcc) . If i want to take more number of atoms in same structure e.g 27 atoms in hcp or more. How i can do this? and is it beneficial for accurate results???
Please help me.
I ll be very thankful to all.
S.Sidhu
I have to make hexagonal and fcc structure. But in primitive unit cell ,there are 9 atoms (hcp) and 27atoms +3 vacancies (fcc) . If i want to take more number of atoms in same structure e.g 27 atoms in hcp or more. How i can do this? and is it beneficial for accurate results???
Please help me.
I ll be very thankful to all.
S.Sidhu