[Pw_forum] total potential plot

[Matteo Cococcioni]

Thanks Paolo.


Paolo Giannozzi wrote:
> On Jun 14, 2010, at 22:50 , Matteo Cococcioni wrote:
>
>   
>> (V_ext + V_H + V_xc)
>>     
>
> V_ext = nuclear (pseudo-)potential acting on electrons?
>
>   

yes, that's what I meant. In fact I wasn't sure this corresponds to 
"V_bare" or to "local ionic potential".
I will use plot_num = 1.

regards,

Matteo

>>                       1  = total potential V_bare+V_H + V_xc
>>     
>
> then this is what you need.
>
>   
>>                       2  = local ionic potential
>>     
>
> The latest QE version is more explicit:
>
>   
>>                       2  = local ionic potential V_bare
>>     
>
>
>   
>> 2) is there any known reason why plotrho fails when trying to make  
>> a 2D
>> plot of the potential?
>>     
>
> it doesn't fail. Run it interactively.
>
> P.
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>