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TRIQS / tprf

TPRF: The Two-Particle Response Function tool box for TRIQS
https://triqs.github.io/tprf
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problem with band plot with wannier90 output using TBLattice methods #34

Closed ParthaSarathiRana closed 2 years ago

ParthaSarathiRana commented 2 years ago

Hi, I am trying to plot bands for a multi-orbital tb model from wannier90 output. I am following the methods used to construct a band for square lattice given in the tutorial. But I can't reproduce the original band plot. Can you please help me with the issue?

wann_tprf.py.txt

tprf-bands

wannier90-bands

HugoStrand commented 2 years ago

Dear Rana,

I am sorry, I am not able to reproduce your results given only the python script and the plots.

Could you please also share the wannier90_hr.dat, wannier90.wout, wannier90-bands.dat etc. files?

Best, Hugo

ParthaSarathiRana commented 2 years ago

I am sharing the wannier90 outputs wannier90_hr.dat.txt wannier90.wout.txt wannier90-bands.dat.txt

HugoStrand commented 2 years ago

Dear Rana,

The problem is that the tight binding object in TPRF does not give you the eigenvalues of the bands at each k-point. It gives you a matrix whose eigenvalues are the band energies.

Here is a fixed plot script and the resulting figure.

Best, Hugo

plot.py.txt

figure_tprf

ParthaSarathiRana commented 2 years ago

Thanks, I got the point.