[Pw_forum] A Cutting-edge Question !!!

[Paolo Giannozzi]

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 <shekaari at gmail.com> 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" <lorenzo.paulatto at impmc.upmc.
> 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
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20161117/9cd9b1b9/attachment.html>