[Pw_forum] how to set k_point

华 李 lvtieyu1975 at yahoo.com.cn
Sat Aug 14 11:12:54 CEST 2004


Dear all:
       I'm a new user of PWSCF. I want to know how to set the K_POINTS. I have read the INPUT_PW. In example1, I adjusted input_file of Si ( si.scf.cg.in). 
**************************************************
..........
K_POINTS{automatic}
 10 10 10 0 0 0
**************************************************
I  did self-consistent calculation and band structure calculation . Then I got a wrong result of band-gap. why?
 
tylv




---------------------------------
Do You Yahoo!?
150万曲MP3疯狂搜,带您闯入音乐殿堂
美女明星应有尽有,搜遍美图、艳图和酷图
1G就是1000兆,雅虎电邮自助扩容!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: /pipermail/attachments/20040814/0aa49ff0/attachment.htm 


More information about the Pw_forum mailing list