| Re: Direction of magnetic field different from magnetic order ( No.1 )|
- Date: 2023/04/12 13:35
- Name: T. Ozaki
As explained at https://www.openmx-square.org/openmx_man3.9/node99.html
In the following setting:
<Atoms.SpeciesAndCoordinates # Unit=Ang
1 Mn 0.00000 0.00000 0.00000 8.0 5.0 45.0 0.0 45.0 0.0 1 on
2 O 1.70000 0.00000 0.00000 3.0 3.0 45.0 0.0 45.0 0.0 1 on
the 8th and 9th columns specify the initial spin orientation and local magnetic field.
Even so, the system tries to find a spin direction having a lower energy, while balacing
with the constraint for the local magnetic field. Note that even if you start the direction
specified by the 8th and 9th columns, the spin direction is fixed at the direction.
If you want to start a different spin direction, you can use a restart file which stores
the spin configuration with different spin directions. In the second calculation with
the restart file, a spin direction being different from the first calculation can be
specified. Then, you will start a different spin direction from that specified by
the 8th and 9th columns.