[Pw_forum] band-gap of si in example5
华 李
lvtieyu1975 at yahoo.com.cn
Thu Aug 12 07:25:18 CEST 2004
Paolo Giannozzi :
When I ran example5, I found a question. I ran run_example in example5. I got the results. These conform to reference. Because I only wanted to calculate the band-structure, I delete No:79 to 172 lines in run_example of example5. I get the band-gap of Si is 0.9126 eV. Why? I found si.band.in in results is the same to si.band.in in reference.
Best wishes
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: <http://lists.quantum-espresso.org/pipermail/users/attachments/20040812/fbabc1bc/attachment.html>
More information about the users
mailing list