Category:Magnetism: Difference between revisions
No edit summary |
(→How to) |
||
| Line 6: | Line 6: | ||
*Noncollinear magnetism: {{TAG|LNONCOLLINEAR}}. | *Noncollinear magnetism: {{TAG|LNONCOLLINEAR}}. | ||
*Spin spirals: {{TAG|Spin spirals}}. | *Spin spirals: {{TAG|Spin spirals}}. | ||
* Apply a constant external magnetic field (Zeeman-like term): {{TAG|BEXT}} | |||
*What can one do when convergence is bad: | *What can one do when convergence is bad: | ||
Latest revision as of 09:00, 9 February 2024
Theory
- Spin-orbit coupling: LSORBIT.
- Spin spirals: Spin spirals.
How to
- Spin-orbit coupling: LSORBIT.
- Noncollinear magnetism: LNONCOLLINEAR.
- Spin spirals: Spin spirals.
- Apply a constant external magnetic field (Zeeman-like term): BEXT
- What can one do when convergence is bad:
- Start from charge density of non-spin-polarized calculation using ISTART=0 (or remove the WAVECAR file) and ICHARG=1.
- Use linear mixing by setting BMIX=0.0001 and BMIX_MAG=0.0001.
- Mix slowly, i.e., reduce AMIX and AMIX_MAG.
- REDUCE MAXMIX, the number of steps stored in the Broyden mixer (default MAXMIX=45).
- Restart from partially converged results (stop a calculation after say 20 steps and restart from the WAVECAR file).
- Use constraints to stabilize the magnetic configuration.
- Pray.
Subcategories
This category has the following 3 subcategories, out of 3 total.