menu.cut-3

来自「已经编译好的levoo程序」· CUT-3 代码 · 共 9 行

   9. Cut atoms out (current density (in memory) is destroyed!)
     Out of the total original density             =    8.00338
     ... grid points removed due to radii          =       4870
     ... with the density cut out                  =    0.39735
     ... add. grid points removed due to threshold =          0
     ... with the density cut out                  = 0.000000E+00
     ... so that the TOTAL density left is         =    7.60602
  10. Write charges cut out + core charges into a file