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Utility tetr
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A note about symmetry
Contents
Detailed description of options in
tetr
Subsections
Main menu
B - Generate supercell geometry from scratch
Pc - Generate primitive cell from space group symbol
Cl - Build up a cluster from the lattice
M - Complex cell modifications
KP - k-points generation
KP-menu
DOS
Ew - Coulomb potential inside the unit cell
Calculation of phonons (atomic vibrations)
Theory: method of displacements and forces
Theory: practical side
Theory: use of symmetry
Theory: Elimination of translations and rotations in the case of molecules
Vm - Vibrations of molecules => preparation
A short note on advanced options
Vc - Vibrations of crystals (point group) => preparation
Vs - Vibrations of crystals (space group) => preparation
V2 - Vibrations => calculation [normal modes]
V3 - Vibrations => application [DOS, masses]
Representation/visualisation
Cm - Compare geometry with the one in another file
D - Distances between atoms
Ch - Check specified point in the cell
Sb - Save in a box running across adjacent cells
PE - PES: move atoms keeping the symmetry
Miscellaneous menus
S/R - Save/Read menu
Mv - Move atoms
Rt - Rotate atoms
Point group generator
Lev Kantorovich 2006-05-08
