It's not that simple. You have to know much more than this in order to make a sensible modification. There are by the way several empty routines that are called at specific places of the code (those starting with "plugin_") and that can be modified, but you have to know how to access which variable and how to modify it
Paolo On Mon, Nov 14, 2016 at 3:14 PM, ashkan shekaari <[email protected]> wrote: > Dear Dr. Paulatto, > Thank you so much for your quick response. I was wondering if you could > possibly inform me which line must be modified. > > On Nov 14, 2016 2:05 PM, "Lorenzo Paulatto" <[email protected]. > fr> wrote: > >> On Monday, November 14, 2016 1:59:12 PM CET ashkan shekaari wrote: >> > Dear Matteo, >> > Thank you so much for your explanatory response. >> > >> > The very essence of my question is as follows: >> > If I want to add a term or a constant to the Hamiltonian of a given >> system, >> > which subroutine or code (*.f90) must be modified? >> >> >> PW/src/h_psi.f90 >> >> but it may be harder than you expect >> >> kind regards >> >> -- >> Dr. Lorenzo Paulatto >> IdR @ IMPMC -- CNRS & Université Paris 6 >> phone: +33 (0)1 44275 084 / skype: paulatz >> www: http://www-int.impmc.upmc.fr/~paulatto/ >> mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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