[Pw_forum] Two limitations of TDDFPT?

[Stefano Baroni]

On Mar 27, 2011, at 11:30 AM, jiayudai wrote:

> Dear developers,
> 
> When i tested the new package of TDDFPT, i found we can not do the calculations with two cases: with more than k-points (not Gamma only), and with electronic smearing method. Is it ture ?
> 
yes
> And if these two limitations can be overcome in the new release of the QE package of 4.3?
> 
no, I am afraid ...

SB

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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