[Wannier] Enquiry about the Error of pw2wannier90.x calculation

[Kenan Song]

Dear All,

I am a new user of wannier90 code. I am currently doing the non-collinear band structure calculation of a slab model of Bi2Se3 system by QUANTUM ESPRESSO and I want to get wannierisation for the band structure.

I ran the command $ mpirun -np 14 pw2wannier90.x < 3QLBi2Se3.pw2wan.in > 3QLBi2Se3.pw2wan.out & but after a while, the calculation failed and CRASH file gave information that from pw2wannier90 : error #         1 write_unk not implemented with ncls. I am not sure why I have this error message. I take a snapshot of my screen and upload it with other files into the attachment.

Would anyone give me any suggestions on how to sort out this problem? Thanks a lot in advance.

Kind regards,

Kenan Song
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