[Wannier] Question regarding pw2wannier.x and spinor projections

Olivia irving at chem.ucla.edu
Fri Mar 27 17:17:58 CET 2015


Hello , 

I am using Wannier90 with quantum espresso and I keep recieving an error ' no projections found in seedname.nnkp.' 
It seems that specifically the .x file , pw2wannier90.x cannot read projections from the .nnkp files. 
I at first thought this might be due to the fact that spinors weren't incoporated into quantum espresso as the resleases of Wannier and Quantum Espresso do not coiencide. I then followed the directions for QE 5.0.3 , 5.0.2 and 5.1.1 an 5.1.2 installations with the pw2wannier90.f90 file provided on the website . I am still only able to run ./wannier90.x -pp to recieve the nnkp file but I am unable to run pw2wannier90.x and recieve the requitse files. I do have spinor projections in the nnkp file but these are not read by pw2wannier. This pw2wannier.x file works fine with spinors=.false.
I was wondering if anyone has recieved this error? 
If so is there something I can do to get pw2wannier90.x to recognize spinor projections?

Thank you

Olivia Irving
undergraduate researcher
University of California Los Angeles 
irving at chem.ucla.edu
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