menu.dipole-0

来自「已经编译好的levoo程序」· DIPOLE-0 代码 · 共 22 行

 ..............MENU for DIPOLE ........................
 ......... Change these parameters if necessary:.......
   2. Charges of nucleii by species: 
       6  1
   3. The center of your sphere:
 A=> (   0.000,   0.000,   0.000), fr=> (   0.000,   0.000,   0.000)
   4. The smallest radius (Angstroms):    5.00000
   5. The largest radius (Angstroms):    10.00000
   6. The number of points between these radii:    10
   9. Calculate dipole moment; the file for plotting is out.dat_1    <= DONE!
  10. Preview the dependence of dipole moment versus Radius
  11. Create a PostScript file out.dat_1.ps
-------  G e n e r a l  s e t t i n g s ---------
   0. Coordinates are specified in: <AtomNumber>
   7. Algorithm for the charge integration: <nonconserv>
   8. X,Y,Z integration grid inside the sphere:    30
   1. Units: electrons*Angstrem
------ L e a v e   t h e   m e n u -------------
  12. Return to the previous menu
 
 ------> Choose the item and press ENTER: