The electronic system may be computed in the spin-unpolarized or spin-polarized case, with the possibility to impose occupation numbers of majority and minority spins, and the spins of the starting configuration. A specific option for efficient treatment of anti-ferromagnetism (Shubnikov groups) is available. The treatment of non-collinear magnetism is available (some details of the implementation can de found here). The total magnetic moment of the unit cell can be constrained. The local magnetization can also be constrained.
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Basic input variables:
... nspden [Number of SPin-DENsity components]
... nspinor [Number of SPINORial components of the wavefunctions]
... nsppol [Number of SPin POLarization]
... spinat [SPIN for AToms]
Useful input variables:
... diemixmag [model DIElectric MIXing factor for the MAGgnetization]
... genafm [GENerator of the translation for Anti-FerroMagnetic space group]
... pawspnorb [PAW - option for SPiN-ORBit coupling]
... so_psp [Spin-Orbit treatment for each PSeudoPotential]
... spgroupma [SPace GROUP number defining a MAgnetic space group]
... spinmagntarget [SPIN-MAGNetization TARGET]
... spnorbscl [SPin-ORBit SCaLing]
... symafm [SYMmetries, Anti-FerroMagnetic characteristics]
Relevant internal variables:
... %ptgroupma [PoinT GROUP number for the MAgnetic space group]
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tests/v3/Input: t22.in t23.in t51.in
tests/v5/Input: t16.in t17.in t51.in
tests/v7/Input: t05.in
t06.in
t07.in
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