Triclinic(primitive) Basic vectors: arbitrary Volume:[a1a2a3] Kpoints: gamma(0 0 0) B(1/2 0 0) F(0 ½ 0) G(0 0 1/2) Monoclinic(primitive) Basic vectors: (0 -b 0) (a sinr -a cosr 0) (0 0 c) Volume:abc sinr Kpoints: gamma(0 0 0) B(-1/2 0 0) Y(0 ½ 0) Z(0 0 ½ ) C(0 ½ ½ ) D(-1/2 0 ½ ) A(-1/2 ½ 0) (-1/2 -1/2 0) or(½ ½ 0) E(-1/2 ½ ½ ) (-1/2 -1/2 ½ ) or(1/2 ½ ½ ) Monoclinic(Base centered) Basic vectors: (0 -b 0) 1/2(a sinr a cosr -c) 1/2(a sinr -a cosr c) Volume:1/2abc sinr Kpoints: gamma(0 0 0) A(-1/2 0 0) Z(0 -1/2 ½ ) M(-1/2 -1/2 ½ ) L(1/2 0 ½ ) V(0 0 ½ ) Othorhombic(Primitive) Basic vectors:(0 -b 0) (a 0 0) (0 0 c) Volume: abc Kpoints: gamma(0 0 0) Y(-1/2 0 0) X(0 ½ 0) Z(0 0 ½ ) U(0 ½ ½ ) T(-1/2 0 ½ ) S(-1/2 ½ 0) R( -1/2 ½ ½ ) Othorhombic(Base centered) Basic vectors: 1/2(a -b 0) 1/2(a b 0) (0 0 c) Volume: 1/2abc Kpoints: a>b: gamma (0 0 0) Y(1/2 ½ 0) Z(0 0 ½ ) T(1/2 ½ ½ ) S(0 ½ 0) R(0 ½ ½ ) ab and a>c: gamma(0 0 0) X(1/2 -1/2 ½ ) R(1/2 0 0) S(1/2 0 -1/2) T(1/2 ½ 0) W(3/4 -1/4 -1/4) b>a and b>c: gamma(0 0 0) X(1/2 -1/2 -½ ) R(1/2 0 0) S(1/2 0 -1/2) T(1/2 -½ 0) W(3/4 -1/4 -1/4) c>a and c>b: gamma(0 0 0) X(1/2 1/2 -½ ) R(1/2 0 0) S(1/2 0 -1/2) T(1/2 -½ 0) W(3/4 -1/4 -1/4) Othorhombic(Face centered) Basic vectors: ½ (a 0 c) 1/2(0 -b c) 1/2(a -b 0) Volume: 1/4abc Kpoints: 1/a^2<1/b^2+1/c^2 1/b^2<1/c^2+1/a^2 and 1/c^2<1/a^2+1/b^2: gamma(0 0 0) Y(0 -1/2 -1/2) X(1/2 0 ½ ) Z(1/2 ½ 0) L(1/2 0 0) 1/c^2>1/a^2+1/b^2: gamma(...
