[Q-e-developers] Not enough spin components found

Samuel Poncé samuel.pon at gmail.com
Tue May 23 19:07:55 CEST 2017


Dear QE developers,

I'm here reporting a possible recent issue with today's version of the svn
trunk.

When doing an scf calculation with SOC with
    noncolin        =.true.
    lspinorb        =.true.

followed by an nscf calculation using the same flag and I get:
 Error in routine read_rhog (1):
 not enough spin components found

To double checked, I have recompiled the code at revision r13504 (2 weeks
ago).
Everything is fine with that earlier version.

Best wishes,
Samuel


-- 

------------------------------------------------------------------------------------------------
    Dr. Samuel Poncé
    Department of Materials
    University of Oxford
    Parks Road
    Oxford OX1 3PH, UK

    Phone: +44 1865 612789
    email: samuel.ponce at materials.ox.ac.uk  <fabio.caruso at materials.ox.ac.uk>
    web: http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
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