[Pw_forum] pw2wannier fails to deal with USP

soroush pakseresht spakinform at gmail.com
Thu Dec 2 14:22:38 CET 2010

Dear all,

I'm a novice user of PWSCF.
I've been trying to use pw2wannier90 to construct the wannier90.x inputs
(.mmn and .amn) from a previously converged SCF calculation. In my
calculations, I consider spin-orbit coupling so I use fully relativistic
ultrasoft pseudopotentials (USP). But apparently, pw2wannier90 can not
handle a noncollinear USP situation. when I run it, I get the following
error message,

  *** Compute  A

     from pw2wannier90 : error #         1
     NCLS calculation not implimented with USP

Does anybody have any workaround to fix this issue?

Soroush Pakseresht
Advanced Science Institute (RIKEN)
2-1 Hirosawa, Wako
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20101202/ec505c9a/attachment.html>

More information about the users mailing list