menu.v3

来自「已经编译好的levoo程序」· V3 代码 · 共 26 行

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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: