Dear All,
I did calculation for anatase primitive cell and conventional cell.
I get atomic positions of these cells from previous posts in this forum.
I do know to get wyckoff positions of conventional cell from space
group I41/amd and
from bilbao crystallographic server. Now I need to know to get wyckoff
positions of
primitive cell which is posted in this forum as follows.And how to get it from
bilbao crystallographic server.
Ti (0,0,0)
Ti (0,a/2,c/4)
O (0,0,-uc)
O (0,0,+uc)
O (0,a/2,c/4-uc)
O (0,a/2,c/4+uc
Thanks.
With Regards,
A.Suresh,
Research Scholar,
Madurai Kamaraj University,
Madurai.
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
