menu.ew

来自「已经编译好的levoo程序」· EW 代码 · 共 20 行

 ..............MENU for Madelung potential ...........
 ......... Change these parameters if necessary: .....
 
   1. Point of interest: ....... undefined .......
   3. Charges on species: ....... undefined .......
   4. Charges on ions: ....... undefined .......
  Ok. Adopt present setting and calculate the potential
 -------------- g e n e r a l  s e t t i n g s ----------------
   2. Charges on all species are the same: YES
  An. [For input] Coordinates are specified in: <AtomNumber>
  Co. Show current atomic positions in fractional/Cartesian
  Sy. Show the point symmetry
  Ew. Ewald constant: 0.162885E+00
   5. Precision of the summations: 0.100000E-09
   6. Multiplication factor: 0.100000E+01
  Vb. Verbose: NO
   Q. Quit: skip the step and do NOT proceed. 
 
 ------> Choose the item and press ENTER: