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Supported as of VASP.4.5.
Setting LNONCOLLINEAR=.TRUE. in the INCAR file allows
to perform fully non-collinear magnetic structure calculations.
VASP is capable of reading WAVECAR and CHGCAR files from previous
non-magnetic or collinear calculations, it is however not
possible to rotate the magnetic field locally on selected atoms.
Hence, in practice, we recommend to perform non collinear calculations in two
- First, calculate the non magnetic groundstate and generate a WAVECAR and
- Second, read the WAVECAR and CHGCAR file, and supply initial
magnetic moments by means of the MAGMOM tag
(compare Sec. 6.13).
For a non-collinear setup, three values must be supplied for each ion
in the MAGMOM line. The three entries correspond to
the initial local magnetic moment for each ion in x, y and z direction respectively.
MAGMOM = 1 0 0 0 1 0
initialises the magnetic moment on the first atom in the x-direction, and
on the second atom in the y direction. Mind, that the MAGMOM line supplies
initial magnetic moments only if ICHARG=2, or if the CHGCAR file
contains only charge but no magnetisation density.
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