[Wannier] Error in routine pw2wannier90 (64):

shashi bhusan mishra mshashi125 at gmail.com
Mon Dec 18 20:12:16 CET 2017


Dear Wannier experts,
         I am trying to do wannier calculation using wannier 90 interfaced
with QE PWSCF. As a first step I tried to a wannier calculation for a CO2
molecule.  After nscf and wannier90.x calculation, while running
pw2wannier90.x, i got  message
                              "*Error in routine pw2wannier90 (64): Wrong
number of k-points" *
I am new to the wannier calculation,I searched in the forum for solution
but  unable to resolve the issue. However, with only gamma point the
calculation runs fine.In other cases it shows error. Please see the
attached input files.




Thanks and Regards,

Shashi Bhusan Mishra
Research Scholar,
Dept.
​o​
f Physics,
Room No- HSB209A
IIT Madras-36



‌
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