This is activated if spgroup!=0 and brvltt=-1. The user needs to specify the number of atoms to be read natrd in the asymmetric part of the cell, as well as the expected number of atoms natom in the primitive cell. Some additional information on the axes orientation spgaxor and the cell origin spgorig might also have to be given. See the space group help file.
The specification of a magnetic space group is even possible (antiferromagnetic). See spgroupma and genafm.
See also the topic_UnitCell.
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Basic input variables:
... brvltt [BRaVais LaTTice type]
... natom [Number of ATOMs]
... natrd [Number of AToms ReaD]
... spgroup [SPace GROUP number]
Useful input variables:
... chkprim [CHecK whether the cell is PRIMitive]
... genafm [GENerator of the translation for Anti-FerroMagnetic space group]
... spgaxor [SPace Group : AXes ORientation]
... spgorig [SPace Group : ORIGin]
... spgroupma [SPace GROUP number defining a MAgnetic space group]
Relevant internal variables:
... %ptgroupma [PoinT GROUP number for the MAgnetic space group]
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tests/tutorial/Input: tnuc_1.in
tests/v5/Input: t77.in
tests/v6/Input: t30.in
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