[Pw_forum] Hessian of the charge density

Stefano Baroni baroni at sissa.it
Tue Apr 6 16:43:53 CEST 2010

Not that I know, but it should be simple to implement numerically, through FFT. SB

On Apr 6, 2010, at 2:35 PM, shekoufe khosravi wrote:

> Dear Prof. Baroni
> Excuse me if I was hasty.
> I mean the Hessian matrix(second-order partial derivatives) of the charge density
> (as a scalar field) in the unit cell (at FFT points).
> Thanks for your attention
> (Mrs.) shekoufe Khosravi
> PhD student
> Isfahan University of Technology
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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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