[Pw_forum] Getting force acting on each atom pw.x

[Paolo Giannozzi]

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 <dan.gil9973 at gmail.com> 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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