The way I understand the documentation is that if you want to start a
non collinear magnetic calculation from the result of a collinear one
you can use the angles defining the magnetic orientation of the first
atomic species (that has no meaning in the collinear case) to rotate the
direction of the collinear magnetization (conventionally along z) in the
desired direction. This applies to the whole space and is just the
starting guess. The subsequent self-consistency will modify it as
required by the non collinear energy minimization, but the closer you
start to the right orientation the better it should be.
stefano
On 03/01/19 11:33, Guido Menichetti wrote:
Dear experts and developers,
I am trying to use 'lforcet' flag.
The documentation says that this flag works
only for the rotation of the spin of the atomic type 1:
"[...] direction described byangle1
<https://www.quantum-espresso.org/Doc/INPUT_PW.html#angle1> andangle2
<https://www.quantum-espresso.org/Doc/INPUT_PW.html#angle2> variables for_*atomic type 1"
*_
I was wondering if it works also if I rotate more than 1 atom/atomic
species at the same time.
Thank you for all your work,
Kind Regards
G.
--
***************************************
Guido Menichetti
Post-Doc researcher in Solid State Physics
Istituto Italiano di Tecnologia
Graphene Labs: Theory and technology of 2D materials
Address: Via Morego, 30, 16163 Genova
Email: [email protected] <mailto:[email protected]>
[email protected] <mailto:[email protected]>
[email protected] <mailto:[email protected]>
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