[Pw_forum] how to set the initial magnetization in non-collinear calculations

[Pietro Delugas]

Hi

Yes it is with starting_magnetization(i)

here you can find  two examples

https://gitlab.com/QEF/q-e/tree/master/PW/examples/example06

https://gitlab.com/QEF/q-e/tree/master/PW/examples/example12

  pietro


On 23/01/2018 18:54, Eduardo Menendez wrote:
> Hi,
> In non-collinear calcularions the direction of the starting magnetic 
> moment of on species is set using angle1(i) and angle(2). How is 
> magnitude of the magnetic moment set?
>
> Is it with starting_magnetization(i) ?
>
> I just want to be sure. The help just explain the collinear case.
>
> angle1(i), i=1,ntyp 	REAL
>
>     The angle expressed in degrees between the initial
>     magnetization and the z-axis. For noncollinear calculations
>     only; index i runs over the atom types.
>               
>
>
> angle2(i), i=1,ntyp REAL
>
>     The angle expressed in degrees between the projection
>     of the initial magnetization on x-y plane and the x-axis.
>     For noncollinear calculations only.
>               
>
>
>
> Eduardo Menendez Proupin
> University of Chile
>
>
>
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