[Wannier] SIESTA with wannier90 *.nnkp

Jigneshkumar Barot jigneshkumar.barot at sxca.edu.in
Mon Jun 3 18:44:34 CEST 2024


Hello Sir/Ma'am,

I want to use wannier90 with siesta to calculate the z2 invariant for 2D
materials. I have generated *.nnkp file using *.win keeping spinors true by
running wannier90 in preprocessing mode but when I run SIESTA then SIESTA
gives the following error.
"stopping program
Stopping Program from Node:    0

siesta2wannier90: Reading the <seedname>_up.nnkp file

read_nnkp: Could not find the file SbO_up.nnkp
stopping program
Stopping Program from Node:    0

Program received signal SIGABRT: Process abort signal."
is there a way to generate such separate files for spin up and down?

Regards
Jigneshkumar
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