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/ ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by SquirrelMail http://www.squirrelmail.org/
