[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
More information about the Wannier
mailing list