[Pw_forum] core level shifting calculation

[Stefano Baroni]

On Jul 6, 2012, at 9:25 AM, Paolo Giannozzi wrote:

> 
> On Jul 6, 2012, at 9:13 , manoj narayanan wrote:
> 
>> So is it ok to use the Z+1 approximation rather
>> than using core excited pseudo potential ?
> 
> this is about physics, not about software, and the answer
> should be found in papers.

... or, even better, by direct experience
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

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