[QE-developers] Number of digits in frequencies indices

Stefano de Gironcoli degironc at sissa.it
Wed Mar 25 22:15:03 CET 2020


~/QE/gitlab/fork/q-e$ grep -e "mode #" */*/*.f90
PHonon/Gamma/solve_ph.f90:        WRITE( stdout,'(" ***  mode # ",i3," : 
using symmetry")') nu
PHonon/Gamma/solve_ph.f90:        WRITE( stdout,'(" ***  mode # ",i3," : 
using previous run")') nu
PHonon/Gamma/solve_ph.f90:        WRITE( stdout,'(" ***  mode # ",i3," : 
using asr")') nu
PHonon/Gamma/solve_ph.f90:     WRITE( stdout,'(" ***  mode # ",i3," : 
",i3," iterations")')  &
PHonon/PH/add_zstar_ue.f90:           ! read dpsi(scf)/du for phonon 
mode # mode
PHonon/PH/phqscf.f90:           WRITE( stdout, '(//,5x,"Representation 
#", i3," mode # ",i3)') &
PHonon/PH/write_modes.f90:   WRITE( stdout, '(20x," mode # ",i3)') 
imode0 + 1
PHonon/PH/write_modes.f90:   WRITE( stdout, '(2(10x," mode # 
",i3,16x))') imode0 + 1, &
PHonon/PH/write_modes.f90:   WRITE( stdout, '(4x,3(" mode # ",i3,13x))') 
imode0 + 1, imode0 &
PHonon/PH/write_modes.f90:   WRITE( stdout, '(4x,4(" mode # ",i3,13x))') 
imode0 + 1, imode0 &

On 25/03/20 22:09, Paolo Giannozzi wrote:
> It is definitely possible, but the difficult part is to locate all of 
> them ... !
>
> Paolo
>
> On Sun, Mar 22, 2020 at 11:27 AM Antoine Jay <ajay at laas.fr 
> <mailto:ajay at laas.fr>> wrote:
>
>     Dear developers,
>     Is it possible to add one to the number of possible digits in the
>     indices of the phonons frequencies that are plotted in the output
>     files as
>     ph.out
>     dynmat.out
>     matdyn.out
>     all the .dyn ...
>
>     Nowadays, only 3 digits are plotted, which implies that the
>     plotted output is *** when the number of frequencies is higher
>     than 999.
>     Example:
>          Representation #997 mode # ***
>          Representation #998 mode # ***
>          Representation #999 mode # ***
>          Representation #*** mode # ***
>          Representation #*** mode # ***
>
>     Thank you very much
>
>     Antoine Jay
>     LAAS-CNRS
>     Toulouse France
>
>     _______________________________________________
>     developers mailing list
>     developers at lists.quantum-espresso.org
>     <mailto:developers at lists.quantum-espresso.org>
>     https://lists.quantum-espresso.org/mailman/listinfo/developers
>
>
>
> -- 
> 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
>
>
> _______________________________________________
> developers mailing list
> developers at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/developers
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