[Pw_forum] error in gipaw calculation_non-collinear not supported yet
Maria Tassi
mtassi at phys.uoa.gr
Wed Feb 22 11:47:44 CET 2017
Dear users,
I am trying to perform a gipaw calculation but it finishes with the error:
"Error in routine gipaw_main (1):
non-collinear not supported yet"
The input is:
&inputgipaw
job = 'g_tensor' ,
prefix = 'scf-GIPAW'
tmp_dir = '....'
diagonalization = 'cg'
verbosity = 'high'
q_gipaw = 0.01
spline_ps = .true.
/
Is that error means that non-collinear magnetization is not yet
implemented for gipaw calculation? If yes, how can I perform such a
calculation, taking into account the spin-orbit coupling?
Thank you in advance
Maria Tassi
--
Dr. Maria Tassi
Post-Doctoral Researcher
National and Kapodistrian University of Athens, Faculty of Physics,
Department of Solid State Physics, Panepistimiopolis, Zografos, GR-15784
Athens, Greece
E-mail: mtassi at phys.uoa.gr
Tel.: +30 210 7276758
Mobile: +30 6932131934
Fax : +30 210 7276711
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