[QE-users] Spin Polarized + Spin Orbit Coupling combined error

[Asad Mahmood]

Hi,

In trying to compute spin-polarized band structure along-with turning on
spin orbit coupling for hydrogenated silicene. For this I included the
following lines in input file:

nspin = 2
starting_magnetization = 0.7
noncolin = .true
lspinorb = .true

But I get an error:


     Program PWSCF v.5.2.0 starts on 30Aug2018 at 22:41:17

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     8 processors
     R & G space division:  proc/nbgrp/npool/nimage =       8
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine iosys (1):
     noncolin .and. nspin==2 are conflicting flags
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
~


I tried by removing nspin = 2 but then the bands are no longer spin
polarized. Please help.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180830/3c1f5367/attachment.html>