menu.vm

已经编译好的levoo程序

 ______ Your crystal class group is Oh  with elements:
UNIT  C4Z  C4Y  PXY  C2Z  C3D S4Z3 -C4Z  C23    I  C3A  S4Z
 C3C  C2Y   P4  C24  C26  S3B  C3B  S4Y  C25  S3C  C22 -C4Y
 PYZ  C2X -C3C   P1  C21  PXZ -C3B   P2 -C3A   P3 -C4X S3D2
-C3D S4Y3  C4X S3A2  S3A  S3D  S4X S4X3 S3B2 S3C2   P5   P6
 
 
 ______ Your largest symmorphic group is C2v with elements:
UNIT  C2Z  PYZ  PXZ
 
 ....... The group family is Oh  ...
 Molecule is NOT linear!
 Shmidt: initial number of vectors N=           6
 Shmidt: final number of vectors N=           6
 >>>>>>>>>>>>>>>>>>>>>>>>><<<<<<<<<<<<<<<<<<<<<<<<<<<
 MOLECULE: lattice translations IGNORED

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

 Fx. Specify which orbits to fix
     Currently transl/rot constrains ARE applied!
 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
 Sy. Show the point symmetry group info
 Cn. Show translational-rotational constraints:
     Current number of conditions = 6
---------------- G e n e r a l  S e t t i n g s ----------------
 Am. Atomic masses for every species:
       15.99940 [ O]     1.00797 [ H]
 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: