JDFTx  1.2.1
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
symmetry-matrix

Syntax:

symmetry-matrix  \
    <s00> <s01> <s02> \
    <s10> <s11> <s12> \
    <s20> <s21> <s22> \
    <a0> <a1> <a2>

Description:

Specify symmetry operator matrices explicitly. The top 3 x 3 block contains the integer rotation matrix in lattice coordinates, while the final row contains the subsequent translation in lattice coordinates. Requires symmetries command to be called with manual argument.

Properties:

Requires:     symmetries

Forbids:     (None)

Allow multiple:    yes

Default:     (None)

Back to: Input file documentation or Index of commands