contcar.ref

来自「已经编译好的levoo程序」· REF 代码 · 共 32 行

SnO2 110 surface 24 ions                                                        
  1.
  0.  6.7566506  0.
  0.  0.  3.2316932
  18.0133012  0.  0.
 8 16
Direct
  0.2960046506   0.4999989479   0.1136726093
  0.7960009949   0.4999989479   0.3220375434
  0.7960009949   0.0000000000   0.1348745533
  0.2960046506   0.0000000000   0.3088541434
  0.2960046506   0.4999989479   0.4971737625
  0.7960009949   0.4999989479   0.7055386966
  0.7960009949   0.0000000000   0.5103571625
  0.2960046506   0.0000000000   0.6843367527
  0.6100327377   0.4999989479   0.1178278431
  0.9819765635   0.4999989479   0.1178278431
  0.4917541998   0.4999989479   0.3146685020
  0.1002551014   0.4999989479   0.3146685020
  0.2960046506   0.0000000000   0.0479498546
  0.2960046506   0.0000000000   0.1952854774
  0.7960009949   0.0000000000   0.3931782785
  0.7960009949   0.0000000000   0.2463698222
  0.6002587570   0.4999989479   0.5045428040
  0.9917505442   0.4999989479   0.5045428040
  0.4819802191   0.4999989479   0.7013834628
  0.1100290820   0.4999989479   0.7013834628
  0.2960046506   0.0000000000   0.4260330275
  0.2960046506   0.0000000000   0.5728414837
  0.7960009949   0.0000000000   0.7712614513
  0.7960009949   0.0000000000   0.6239258285