At line 855 of PW/src/electrons.f90 you find this suggestion:
!
! ... uncomment the following line if you wish to monitor the evolution
! ... of the force calculation during self-consistency
!
!CALL forces()
Paolo
On Thu, Dec 7, 2017 at 4:44 PM, Dan Gil <[email protected]> wrote:
> Hi,
>
> Using pw.x, is it possible to get the force acting on each atom at the end
> of each SCF loop or after normal termination of the program caused by the
> max_seconds option?
>
> Best Regards,
>
> Dan
>
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--
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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