[Wannier] Problem with pw2wannier90 and spinor Projections
Olivia Irving
irving at chem.ucla.edu
Mon Apr 13 21:18:46 CEST 2015
Hi All,
I am having an issue with pw2wannier90. There is a problem reading nnkp, for some reason . The nnkp file contains spinor projections but the pw2wannier.x does not read it.
In pw2wannier I believe the spinor projections are implemented but they are not being found. I have checked the f90 code for pw2wannier90 as well as the nnkp file for spinor projections, both are present
I get the error ...
-----------------
*** Reading nnkp
-----------------
Checking info from wannier.nnkp file
- Real lattice is ok
- Reciprocal lattice is ok
- K-points are ok
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine pw2wannier90 (1):
Could not find projections block in pd4au.nnkp
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
your help would be greatly appreciated !
I have been posting these Friday evening and therefore I don't think many have seen them therefore I am posting again my apologies if your received this email more than once
Thanks
Olivia Irving
Undergraduate Research UCLA
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