[Pw_forum] Doc/INPUT_PW: A compensating jellium background is inserted

[Lorenzo Paulatto]

On Sun, November 18, 2007 17:46, S. K. S. wrote:
>   Dear all,
>
>   It's written in the documentation that
>   a compensating jellium background is inserted.
>
>   I'll be highly obliged if someone kindly tell me the name
>   of the subroutine where it has been inserted.
>

Actually the jellium is not really added: the operation is equivalent to
throwing away the G=0 component of the hartree potential.

You can see how it works in subroutine v_h, inside PW/v_of_rho.f90
keep in mind that gstart is the index of the first non-zero G vector.

Goodbye

-- 
Lorenzo Paulatto
+39 040 3787 511
http://people.sissa.it/~paulatto/


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