[Wannier] Enquiry about the error in using pw2wannier90.x

Kenan Song kenan.song at icn.cat
Wed Oct 28 10:51:54 CET 2015


Dear All,

I am a new user of wannier90 code. I am trying to do band structure calculation by wannier90 code but after I executed pw2wannier90.x command, I got an error message, saying that Error in routine pw2wannier90 (12): Direct lattice mismatch. I cannot figure out what is wrong with my calculation. I upload my input file into the attachment. Would you anyone give me some suggestions on how to sort it out?

Many thanks in advance.

Kenan Song
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