[Pw_forum] Error in routine cdiaghg S matrix not positive definite

[Stefano de Gironcoli]

  (1 1 0 0 0) is fine, or at least consistent with SLA PZ
  recently a new level of XC complexity has been added with the van der 
Waals explicitely non local functionals... if this term is absent the 
fifth digit is 0

stefano

On 09/25/2012 10:00 AM, Sonu Kumar wrote:
> Hi,
>
> In your output, i noticed
>
>       Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1 1 0 0 0)
> i think it should be (1100) not (11000)?
>
>
> regards,
> sk
> ==========================================
> S. Kumar
> Phd Student,Physics Department
> Indian Institute of Technology ,Delhi-110016, India
> web:-http://www.iitd.ac.in/
> ==========================================
>
>
>
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