menu.vs1

来自「已经编译好的levoo程序」· VS1 代码 · 共 29 行

 >>>>>>>>>>>>>>>>>>>>>>>>>>><<<<<<<<<<<<<<<<<<<<<<<<<<<
          <<SUPERCELL>> ----- CURRENT lattice vectors: ----
 #                SUPERCELL                        PRIMITIVE CELL          EXTENTION
(1)   10.88160    0.00000    0.00000  |   10.88160    0.00000    0.00000  |1   0   0
(2)    0.00000   10.88160    0.00000  |    0.00000   10.88160    0.00000  |0   1   0
(3)    0.00000    0.00000   10.88160  |    0.00000    0.00000   10.88160  |0   0   1

 ========= CHOOSE an OPTION:

 Su. General "breeding": construct a supercell <= Done!
 Fx. Specify which orbits to fix
 Ir. Collect info about symmetry adapted vectors <- undefined
-------------- G e n e r a l  I n f o r m a t i o n ------------
 Co. Show general geometry information about orbits
 Or. Show detailed information about given orbit
 Kp. Show all k-points
 Sy. Show the symmetry group info
---------------- G e n e r a l  S e t t i n g s ----------------
  UU. ******  RESTORE the original lattice ******
 Am. Atomic masses for every species:
       28.08600 [Si]    15.99940 [ O]
 XY. Format of <movie.xyz> file is for Xmol
 Da. Distortion amplitude:    0.01000
 Nd. Number of displacements (for [Au] only): 2
 Hs. H atoms to be added to <movie.xyz> file: NO
  Q. Proceed/Quit
 
----------> Choose an appropriate option: