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来自「已经编译好的levoo程序」· V2A 代码 · 共 21 行

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 MOLECULE: lattice translations IGNORED

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 FE. Current working algorithm: via Forces
--------------- E x i s t i n g --- I r r e p s ----------------
  1. irrep (A1 ) is 1D;  dim =   2;   G-files[ T],  F_files[ T]   W-files[ T]
  <=== now active
------ A c t i o n s  w i t h  A c t i v e  I r r e p ----------
 Sv. Show eigenvalues/vectors
 Sa. Show frequencies and normal modes
 Vs. Write xyz movie file for each mode
---------------- 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
  Q. Proceed/Quit
 
----------> Choose an appropriate option: