[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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