Required k-points are not available

[Mehboob]

Dear ATK users,

I have a Bi2Te3 Crystal lattice having space group [R -3 m]. In a paper published in Nat. Phys. (Year 2009, Vol. 5, pp. 438-442), the band structure of similar crystal having same space group have been evaluated at k-points G, Z,  F, G, L. But when we try to evaluate the band structure of Bi2Te3 the options availble for k-points are G,Z,X,Y. Why it happens, although both the crystals have same space group? How can I input the options for the required k-points (G,Z,F,G,L)?

Any help will be highly appreciated.

with best regards,
Mehboob

[Shinji Usui]

I think you should convert your crystal structure to rhombohedral one.
This tutorial will be helpful
http://quantumwise.com/publications/tutorials/mini-tutorials/201.

[Mehboob]

Dear ATK users,
I have changed my crystal structure to rhombohedral one but I still not getting the GZFGL k-points. Please give some more suggestion so that I could do that.

With best regards,
Mehboob

[Anders Blom]

ATK currently has only limited support for the symmetry points in some lattices, like the rhombohedral one. So, you will have to define the symmetry points yourself, following the approach described in http://quantumwise.com/forum/index.php?topic=2845.msg13212#msg13212 (which is related to http://quantumwise.com/forum/index.php?topic=2096.0#.U3xoO7GSnIU).
I admit this is an area we need to improve on, for ATK 2015.