xdatcar

已经编译好的levoo程序

   2   2   1
  0.9261000E+01  0.2969848E-09  0.2969848E-09  0.2969848E-09  0.5000000E-16
   1.0000000000000000E-004
  CAR 
 H2O molecule                            
 Konfig=            1
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.50000000