[Wannier] Question regarding pw2wannier.x and spinor projections

[Giovanni Pizzi]

Dear Olivia,

QE 5.1.x do not require any patching of pw2wannier90.f90. This means you should just download QE and compile the pw2wannier90.x provided therein.
That executable is able to read spinor projections.
After compilation, make sure that there was no error and that the pw2wannier90.x was correctly compiled; and when you run it, double-check that you are actually using the compiled version that you expected.

Best,

Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124




On 27 Mar 2015, at 17:17, Olivia wrote:

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<mailto:irving at chem.ucla.edu>
_______________________________________________
Wannier mailing list
Wannier at quantum-espresso.org<mailto:Wannier at quantum-espresso.org>
http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20150327/b1be523e/attachment.html>