[Wannier] kpoint

Vivek Ranjan vranjan at ncsu.edu
Wed Jun 25 18:23:07 CEST 2008


Hello,

I have successfully run scf and nscf calculations using pwscf. In the next
stage - wannier code to get generate overlaps - I input the same kpoints
as automatically generated in scf steps (in units of 2*pi/a). But wannier
stops making a complaint :

Exiting.......
Non-symmetric k-point neighbours!

I cannot understand the reason. Can someone help in what could be wrong ?

Thank you,

Vivek Ranjan

Department of Physics,
NCSU, Raleigh, NC



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