ISPIN: Difference between revisions
No edit summary |
|||
| (9 intermediate revisions by 3 users not shown) | |||
| Line 3: | Line 3: | ||
Description: {{TAG|ISPIN}} specifies spin polarization. | Description: {{TAG|ISPIN}} specifies spin polarization. | ||
---- | ---- | ||
*{{TAG|ISPIN}}=1: non spin polarized calculations are performed. | *{{TAG|ISPIN}}=1: non-spin-polarized calculations are performed. | ||
*{{TAG|ISPIN}}=2: spin polarized calculations (collinear) are performed. | *{{TAG|ISPIN}}=2: spin-polarized calculations (collinear) are performed. | ||
By combining {{TAG|ISPIN}} with {{TAG|MAGMOM}} collinear magnetism can be studied. | By combining {{TAG|ISPIN}} with {{TAG|MAGMOM}} collinear magnetism can be studied. | ||
{{NB|important| For noncollinear calculations {{TAG|ISPIN}} is ignored. In VASP 6.5.0, the calculation will exit with an error message if {{TAG|ISPIN}}{{=}}2 and {{TAG|MAGMOM}} is used in combination with the {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.|}} | |||
== Related | == Related tags and articles == | ||
{{TAG|MAGMOM}} | {{TAG|MAGMOM}} | ||
{{sc|ISPIN|Examples|Examples that use this tag}} | {{sc|ISPIN|Examples|Examples that use this tag}} | ||
[[Category:INCAR]][[Category:Magnetism]] | [[Category:INCAR tag]][[Category:Magnetism]] | ||
Latest revision as of 12:52, 15 January 2025
ISPIN = 1 | 2
Default: ISPIN = 1
Description: ISPIN specifies spin polarization.
- ISPIN=1: non-spin-polarized calculations are performed.
- ISPIN=2: spin-polarized calculations (collinear) are performed.
By combining ISPIN with MAGMOM collinear magnetism can be studied.
| Important: For noncollinear calculations ISPIN is ignored. In VASP 6.5.0, the calculation will exit with an error message if ISPIN=2 and MAGMOM is used in combination with the LNONCOLLINEAR=.TRUE. |