[Wannier] Enquiry about the Error of pw2wannier90.x calculation
Kenan Song
kenan.song at icn.cat
Thu Oct 29 12:13:18 CET 2015
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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