[Wannier] Problem with pw2wannier90 and spinor Projections

Olivia Irving irving at chem.ucla.edu
Fri Apr 10 18:38:08 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 !

Thanks
Olivia Irving 
Undergraduate Research UCLA



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