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Zheev error when calculating WCC for a nanowire (1D) #189

Description

@TheGreatDeadOne

WT version: 2.4.1 (compiled used Intel toolchain)

Hello, I am encountering problems when calculating certain properties with WT (error zheev 23), using the Hamiltonian generated by W90+VASP.

To at least get an idea of what was happening, I also tried to plot the wire band using WireBand_calc, but without success. The generated file contains no data.

EDIT: changing from nk3 --> nk1 worked.

            NaN            NaN********
            NaN            NaN********
  
            NaN            NaN********
            NaN            NaN********
 
            NaN            NaN********
            NaN            NaN********
  

I also tried other means, such as increasing the number of empty bands to improve convergence, K-point mesh, projectors (including orbital d).

Attached are my inputs and outputs (WT and W90):

WT_out.txt
wannier90_hr_dat.txt
wannier90_win.txt
INCAR.txt
wt_in.txt

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