[Pw_forum] a question about zero point energy

[Stefano Baroni]

As in textbooks: by calculating phonons all over the Brillouin zone  
(in practice, on a regular grid), and them by calculating {\hbar  
\over 2} \sum_{{\bf q},\nu} \omega_{{\bf q},\nu}. SB

On Jul 25, 2005, at 6:46 PM, 胡朝浩 wrote:

> Dear PWscf users,
> In PWscf codes, how can I obtain the results of zero point energy  
> by phonon calculation?
> Thanks in advance.
>
> Best regards,
> Chaohao
>
>
>
>
>
> 需要一个2000兆的免费邮箱吗？
> 网易免费邮箱是中国最多人使用的电子邮箱。
>

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20050725/4c2e3fda/attachment.html>