[Pw_forum] Two limitations of TDDFPT?

[Stefano Baroni]

On Mar 28, 2011, at 5:07 PM, jiayudai wrote:
> 
> So so so so disappointed. If these two limitations existed, we can not do a lot of caculations.

No matter what the capabilities of any software may be they will always be finite.
The number of things the same software cannot do is instead infinite.
I conclude that the probability of disappointing at least one person in the universe is 1.
The philosophy of any open-source endeavour, though, is that there is a finite probability that the disapponted person(s) instead of complaining, roll up their sleeves and implement the feature(s) they so badly need. This would give him/her the opportunity to give back to the developers' community some of the work that they have put in the development of the code.

> However, i found the more k-points calculations in your Tutorial file at some conference, where the 1*1*1 k-point is used. So, i think there should be no difficult to add this part in the code.

So do I ...

> Grazie.

Prego.

Stefano

---
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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