[Pw_forum] Parameters for Dispersion Correction

[Giuseppe Mattioli]

Dear Valentina
It has been recently pointed out that the *'s are due to a format statement in the standard output, which limits the digits without affecting the 
calculation results.
HTH
Giuseppe 

On Monday 09 June 2014 16:00:42 Valentina Cantatore wrote:
> Hi everyone!
> 
> I'm trying to use the Grimme dispersion correction in my calculations.
> The studied system is CH3NH3PbI3.
> 
> Since I'm using the v.5.0.2 (svn rev. 9656) of the program I used the
> keyword london='.true.'
> 
> The problem is that I have in the output the following lines:
> 
>  -------------------------------------
>      Parameters for Dispersion Correction:
>      -------------------------------------
>        atom      VdW radius       C_6
> 
>         Pb         3.673        *******
>         I          3.575        *******
>         C          2.744         60.710
>         N          2.640         42.670
>         H          1.892          4.857
> 
> Does it mean that C_6 are not defined for Pb and I? Or am I wrong in
> something?
> 
> Thank you for your answers.
> 
> Valentina Cantatore
> PostDoc Researcher @ DISIT - Università del Piemonte Orientale
> Alessandria, Italy


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   Giuseppe Mattioli                            
   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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