[Wannier] Wrong irdist_ws error

[Mohammed Ghadiyali]

Dear all,


I 'm trying to generate wannier centres for single, bi and tri layer graphene, to use willson's loop method to calculate Z2 invariant via wainner tools.


Hence I 'm including spin orbital coupling, which prohibits plotting of the wannier centres so the way I can check the accuracy is by comparing the band-structures generated by wannier90 and Quantum ESPRESSO.


For graphene I am able to reproduce the band structure with certain deavations, but for bi and tri layer graphene the calcualtions are failing, gernally with the error: wrong irdist_ws


I have performed the solution provided here: http://mailman.qe-forge.org/pipermail/wannier/2017-February/001305.html


It works for graphene, but not for other, I have attached my inputs, please help.


Wannier90 ver:  v2

Quantum ESPRESSO ver: 6.2

compiled using: gcc and gfort


Regards,

Ghadiyali Mohammed Kader
Research Scholar
Department of Physics
University of Mumbai
+91 8898519951

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