ISPIN

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Revision as of 09:34, 9 January 2025 by Csheldon (talk | contribs)

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.


Related tags and articles

MAGMOM

Examples that use this tag