10楼: Originally posted by magicmonk at 2014-08-13 19:56:37
感谢您的耐心解答
最后想问一下，您上面所说的Gamma Version-VASP对应的KPOINTS文件是否必须是只取一个gamma点，还是说只要是Gmma centered就可以？...

11楼: Originally posted by jpchou at 2014-08-13 21:04:47
一定要是 "只有一個 K 點"
就是 1 1 1 的K 點
才可以...

12?: Originally posted by magicmonk at 2014-08-13 21:23:44
?????д??
rec
0 0 0 1
???...

13?: Originally posted by jpchou at 2014-08-14 04:18:29
?@??....???

???????
KPOINTS ?????????

Automatic mesh
0        
Gamma   
  1  1  1

???????
?????о??? k ?c????
k ?c?x??c cell ?????
cell ?? x y z ???????~???? k ?c???
??~? ...

15楼: Originally posted by jpchou at 2014-08-14 15:24:59
了解
我想~應該是可以適用的