/---------------------------------------------------\\ |.................... MAIN MENU:.....................| \\---------------------------------------------------/  >>>>>>>>>>>>>  Create unit cell from scratch <<<<<<<<                [current geometry will be lost]     B. Generate supercell geometry from scratch  >>>>>>>>>>>>>>>>>  Cluster construction  <<<<<<<<<<<<   Cl. Build up a cluster from the lattice  >>>>>>>>>>>>> Geometry file already exists <<<<<<<<<<    M. Complex cell modifications   KP. k-points generation   >>>>>>>>>>>>>>>>>  Coulomb potential  <<<<<<<<<<<<<<<   Ew. Coulomb potential inside the unit cell  >>>>>>>>>>>>>>>  Calculation of phonons <<<<<<<<<<<<<   Vm. Vibrations of molecules => preparation   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  >>>>>>>>>>>>>> Potential energy surface <<<<<<<<<<<<<   Mv. PES: move atoms keeping the symmetry  ---------- g e n e r a l  s e t t i n g s -----------   XY. Format of <geom.xyz> is set to Xmol    R. Read geometry from another file    S. Save     Q. Quit.   Specify the character and press ENTER ------->