menu.4

来自「已经编译好的levoo程序」· 4 代码 · 共 29 行

 >>>>>>>>>>>>>>>>>>>>>>>>><<<<<<<<<<<<<<<<<<<<<<<<<<<
 ... CURRENT lattice vectors for the supercell ARE...
AJ(1):     10.88160    0.00000    0.00000
AJ(2):      0.00000   10.88160    0.00000
AJ(3):      0.00000    0.00000   10.88160
>>>>>>>>>>>>>>>> Current species are: <<<<<<<<<<<<<<
    Si  O
 
 ========= CHOOSE AN OPTION:
 
 /================================================\\
 || HELP: when using options N and H, you may not ||
 ||  be bothered about internal cluster atoms as  ||
 ||  those will be ignored anyway                 ||
 \\================================================/
 
   R. Read existing cluster geometry
   1. START HERE: choose the first cluster atom
 -------------- g e n e r a l  s e t t i n g s ----------------
  XY. Produce <geom.xyz> file after every change for Xmol
  Hs. H atoms to be added to <geom.xyz> file: NO
  Co. Show lattice atomic positions
  Hd. Distance between an atom and H is:    1.00000000000000     
  Nd. Spherical belt width when finding nn is:   0.100000001490116     
   W. Write <geom.xyz> file for the current cluster
   Q. Proceed/Quit
 
 ----------> Choose an appropriate option: