📄 menu.v3
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>>>>>>>>>>>>>>>>>>>>>>>>><<<<<<<<<<<<<<<<<<<<<<<<<<< MOLECULE: lattice translations IGNORED ========= CHOOSE an OPTION: Am. Change atomic masses for a range of atoms------ A c t i o n s w i t h v i b r a t i o n s ---------- Ei. Solve the eigenvalue problem------------------------ p h o n o n D O S ----------------- pD. Choose atoms for projected phonon DOS-------------- G e n e r a l I n f o r m a t i o n ----------- Co. Show information about atoms Sy. Show the point symmetry group info---------------- G e n e r a l S e t t i n g s --------------- XY. Format of <movie.xyz> file is for Xmol Hs. H atoms to be added to <movie.xyz> file: NO Da. Distortion amplitude for movies: 0.05000 Nd. Number of dispersions: 1 Sg. Dispersion for DOS (cm^-1): 10.00000 St. Step for DOS (cm^-1): 0.10000 Up. Upper limit for DOS: not set W. Write <geom.xyz> file to preview current geometry Q. Proceed/Quit ----------> Choose an appropriate option:
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