diff --git a/doc/lattice.html b/doc/lattice.html index f0c45f21a2..e3dd79db8a 100644 --- a/doc/lattice.html +++ b/doc/lattice.html @@ -121,8 +121,10 @@ and a3 are 3 orthogonal unit vectors (edges of a unit cube). But you can specify them to be of any length and non-orthogonal to each other, so that they describe a tilted parallelepiped. Via the basis keyword you add atoms, one at a time, to the unit cell. Its arguments -are fractional coordinates (0.0 <= x,y,z < 1.0), so that a value of -0.5 means a position half-way across the unit cell in that dimension. +are fractional coordinates (0.0 <= x,y,z < 1.0). The position vector +x of a basis atom within the unit cell is thus a linear combination of +the the unit cell's 3 edge vectors, i.e. x = bx a1 + by a2 + bz a3, +where bx,by,bz are the 3 values specified for the basis keyword.


diff --git a/doc/lattice.txt b/doc/lattice.txt index ec622d3434..38f38ae58b 100644 --- a/doc/lattice.txt +++ b/doc/lattice.txt @@ -113,8 +113,10 @@ and a3 are 3 orthogonal unit vectors (edges of a unit cube). But you can specify them to be of any length and non-orthogonal to each other, so that they describe a tilted parallelepiped. Via the {basis} keyword you add atoms, one at a time, to the unit cell. Its arguments -are fractional coordinates (0.0 <= x,y,z < 1.0), so that a value of -0.5 means a position half-way across the unit cell in that dimension. +are fractional coordinates (0.0 <= x,y,z < 1.0). The position vector +x of a basis atom within the unit cell is thus a linear combination of +the the unit cell's 3 edge vectors, i.e. x = bx a1 + by a2 + bz a3, +where bx,by,bz are the 3 values specified for the {basis} keyword. :line