Dear Dominik,
Could Z2pack directly calculate the Chern number with first principle codes?
I have considered a system with odd number occupied bands (with SOC considered), I set the related parameters the similiar way as the Z2 calculation.
surface=lambda s, t: [ s, t, 0]
z2pack.invariant.chern(result_0)
and
num_wann=num_bands= the number of occupied bands (odd)
The error happens in wannier90.wout
Error: For spinor WF num_wann ust be even
Maybe the intrinsic physic in the Chern number I have not known.
Thanks
Xiangru
Dear Xiangru,
This is a limitation from Wannier90 -- with spinor = true, you can only run systems with an even number of Wannier functions. You should be able to get around this limitation by adding the first band to the list of excluded bands (exclude_bands parameter).
The issue is not related to whether you want to calculate the Chern number or different topological invariants.
Best regards,
Dominik
On 07.03.2017 07:09, xiangru kong wrote:
Dear Dominik,
Could Z2pack directly calculate the Chern number with first principle codes?
I have considered a system with odd number occupied bands (with SOC considered), I set the related parameters the similiar way as the Z2 calculation.
surface=lambda s, t: [ s, t, 0] z2pack.invariant.chern(result_0)
and
num_wann=num_bands= the number of occupied bands (odd)
The error happens in wannier90.wout
Error: For spinor WF num_wann ust be even
Maybe the intrinsic physic in the Chern number I have not known.
Thanks
Xiangru