[Pw_forum] Spectra from GW and TDDFPT

[Stefano Baroni]

On Apr 14, 2011, at 12:39 PM, Giuseppe Mattioli wrote:

> 
> Dear Jiayu
> Yes, it is. You can perform TDDFPT calculations by using the gamma point, 
> nspin=1 and fixed occupations (no smearing). There are no theoretical 
> limitations regarding k-points, but they are currently not implemented.

they will 
SB

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

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

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/20110418/f1c62ca5/attachment.html>