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标题: 求助:能带路径生成求助 [打印本页]

作者
Author:
KIFOOY    时间: 2020-7-25 10:29
标题: 求助:能带路径生成求助
在使用Vaspkit 生成一个带空位和掺杂的超胞能带路径的时候 303生成不了,  我用不掺杂的带空位的能带路径替换生产K点又算不出结果   求指点如何做带掺杂和空位的能带图


报错内容如下
303
+-------------------------- Warm Tips --------------------------+
   The suggested K-Path is only for standardized primtive cell.
   It is for reference only and you can manually modify K-Path.
+---------------------------------------------------------------+
+-------------------------- Warm Tips --------------------------+
     See An Example in vaspkit/examples/seek_kpath/GaAs_bulk.        
   The suggested K-Path is only for standardized primtive cell.
This Feature is Experimental & Check Your System using SeeK-Path.      
For More details See [www.materialscloud.org/work/tools/seekpath].
+---------------------------------------------------------------+
  -->> (01) Reading Structural Parameters from POSCAR File...
Sorry! No Suggested K-Path Available for Triclinic Crystal System Yet.








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