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, {{TAG|ISPIN}}=1 should be used. {{TAG|ISPIN}}=2 performs collinear calculations, which noncollinear make redundant. In VASP 6.5.0, the calculation will crash if {{TAG|ISPIN}}=2 is used in combination with the {{TAG|LNONCOLLINEAR}}=.TRUE.|}} | {{NB|important| For noncollinear calculations, {{TAG|ISPIN}}{{=}}1 should be used. {{TAG|ISPIN}}{{=}}2 performs collinear calculations, which noncollinear make redundant. In VASP 6.5.0, the calculation will crash if {{TAG|ISPIN}}{{=}}2 is used in combination with the {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.|}} | ||
Revision as of 09:34, 9 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=1 should be used. ISPIN=2 performs collinear calculations, which noncollinear make redundant. In VASP 6.5.0, the calculation will crash if ISPIN=2 is used in combination with the LNONCOLLINEAR=.TRUE. |