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xiehui0608

金虫 (小有名气)

应助: 0 (幼儿园)
金币: 1143
散金: 29
红花: 1
帖子: 62
在线: 54.3小时
虫号: 584889
注册: 2008-08-01
专业: 理论和计算化学

[求助] vasp 错误，为什么会出现这种错误？

|
|          W W AA RRRRR N N  II  N N GGGG !!!          |
|          W W A  A R R  NN N  II  NN N  G G  !!!          |
|          W W  A A  R R  N N  N  II  N N  N  G    !!!          |
|          W WW W  AAAAAA  RRRRR N  N N  II  N  N N  G  GGG !          |
|          WW  WW  A A  R R N NN  II  N NN  G G             |
|          W W  A A  R R  N N  II  N N GGGG !!!          |
|                                                                            |
|    The distance between some ions is very small                         |
|    please check the nearest neigbor list in the OUTCAR file             |
|       I HOPE YOU KNOW, WHAT YOU ARE  DOING

这是我的POSCAR
C:test
1.0000
  8.5285035822614636  -4.9239338390033465 0.0000000000000000
0.0000000000000000 9.8478676780066893 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
32 1
Cart
         8.52850000 -4.92392000  0.00000000000
         1.42128000 -0.00001000  0.00000000000
         2.13203000 -1.23100000  0.00000000000
         3.55352000 -1.23100000  0.00000000000
         4.26428000 -2.46195000  0.00000000000
         5.68567000 -2.46198000  0.00000000000
         6.39642000 -3.69294000  0.00000000000
         7.81780000 -3.69296000  0.00000000000
         8.52850000 -2.46195000  0.00000000000
         1.42128000 2.46195000  0.00000000000
         2.13203000 1.23100000  0.00000000000
         3.55352000 1.23097000  0.00000000000
         4.26428000 0.00001000  0.00000000000
         5.68567000 -0.00001000  0.00000000000
         6.39642000 -1.23097000  0.00000000000
         7.81780000 -1.23100000  0.00000000000
         8.52850000 0.00001000  0.00000000000
         1.42128000 4.92392000  0.00000000000
         2.13203000 3.69296000  0.00000000000
         3.55352000 3.69294000  0.00000000000
         4.26428000 2.46198000  0.00000000000
         5.68567000 2.46195000  0.00000000000
         6.39642000 1.23100000  0.00000000000
         7.81780000 1.23097000  0.00000000000
         8.52850000 2.46198000  0.00000000000
         1.42128000 7.38589000  0.00000000000
         2.13203000 6.15493000  0.00000000000
         3.55352000 6.15491000  0.00000000000
         4.26428000 4.92395000  0.00000000000
         5.68567000 4.92392000  0.00000000000
         6.39642000 3.69296000  0.00000000000
         7.81780000 3.69294000  0.00000000000
         6.03978571 0.61725209 2.000000000000

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