.. _guide_bcc: ************************* Body-centered cubic (BCC) ************************* **Pearson symbol**: cI **Constructor**: :py:func:`.BCC` It is defined by one parameter: :math:`a` with conventional lattice: .. math:: \begin{matrix} \boldsymbol{a}_1 &=& (a, &0, &0)\\ \boldsymbol{a}_2 &=& (0, &a, &0)\\ \boldsymbol{a}_3 &=& (0, &0, &a) \end{matrix} And primitive lattice: .. math:: \begin{matrix} \boldsymbol{a}_1 &=& (-a/2,& a/2,& a/2)\\ \boldsymbol{a}_2 &=& (a/2, &-a/2,& a/2)\\ \boldsymbol{a}_3 &=& (a/2, &a/2, &-a/2) \end{matrix} Cell standardization ==================== No standardization is performed. K-path ====== :math:`\mathrm{\Gamma-H-N-\Gamma-P-H\vert P-N}` ======================= ============================== ============================== ============================== Point :math:`\times\boldsymbol{b}_1` :math:`\times\boldsymbol{b}_2` :math:`\times\boldsymbol{b}_3` ======================= ============================== ============================== ============================== :math:`\mathrm{\Gamma}` :math:`0` :math:`0` :math:`0` :math:`\mathrm{H}` :math:`1/2` :math:`-1/2` :math:`1/2` :math:`\mathrm{P}` :math:`1/4` :math:`1/4` :math:`1/4` :math:`\mathrm{N}` :math:`0` :math:`0` :math:`1/2` ======================= ============================== ============================== ============================== Variations ========== There are no variations for body-centered cubic lattice. One example is predefined: ``bcc`` with :math:`a = \pi`. Examples ======== Brillouin zone and default kpath ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. literalinclude:: bcc_brillouin.py :language: py .. raw:: html :file: bcc_brillouin.html Primitive and conventional cell ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ .. literalinclude:: bcc_real.py :language: py .. raw:: html :file: bcc_real.html Wigner-Seitz cell ^^^^^^^^^^^^^^^^^ .. literalinclude:: bcc_wigner-seitz.py :language: py .. raw:: html :file: bcc_wigner-seitz.html