ISPIN: Difference between revisions
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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 | {{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 tags and articles == | == Related tags and articles == | ||
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. |