ISPIN: Difference between revisions
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Description: {{TAG|ISPIN}} specifies spin polarization. | Description: {{TAG|ISPIN}} specifies spin polarization. | ||
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*{{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}}{{=}}1 should be used. {{TAG|ISPIN}}{{=}}2 performs collinear calculations, which is incompatible with noncollinear. In VASP 6.5.0, the calculation will crash if {{TAG|ISPIN}}{{=}}2 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:INCAR tag]][[Category:Magnetism]] | ||
Latest revision as of 10:48, 10 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 is incompatible with noncollinear. In VASP 6.5.0, the calculation will crash if ISPIN=2 is used in combination with the LNONCOLLINEAR=.TRUE. |