[Pw_forum] Spectra from GW and TDDFPT

Stefano Baroni baroni at sissa.it
Mon Apr 18 13:32:25 CEST 2011

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 

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

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