### band structure for conventional cell

Posted:

**Tue Jul 09, 2019 10:37 am**Hi,

I am working on a crystal with r-3m structure (#166). Then, the conventional cell is hexagonal which its volume is three times bigger than primitive cell. i.e. r-3m.

There are some special high symmetry kpoints for r-3m structure.

I am going to plot band structure for conventinal cell, using these high symmetry kpoints of r-3m. Therefore, I need to know where the position of these points is in reciprocal space of hexagonal.

I'd appreciate if you could guide me how I can do that. Is there any post-processing for that in Abinit?

Thank you in advanced!

Best,

Shima

I am working on a crystal with r-3m structure (#166). Then, the conventional cell is hexagonal which its volume is three times bigger than primitive cell. i.e. r-3m.

There are some special high symmetry kpoints for r-3m structure.

I am going to plot band structure for conventinal cell, using these high symmetry kpoints of r-3m. Therefore, I need to know where the position of these points is in reciprocal space of hexagonal.

I'd appreciate if you could guide me how I can do that. Is there any post-processing for that in Abinit?

Thank you in advanced!

Best,

Shima