[Pw_forum] input/output not consistent for ibrav =0 in subroutine readmat (elphon.f90)

[Yansun Yao]

Dear Quantum-ESPRESSO developers,

    I found if one uses ibrav=0 for phonon calculations, there are 4 extra lines
printed out on the top of dyn file, showing explicitly the cell parameters. For
example,

cubic
   1.008529298   0.000000000   0.000000000
   0.000000000   1.008529298   0.000000000
   0.000000000   0.000000000   1.726604604

   However, the subroutine readmat in elphon.f90 does not have the option
reading/avoiding these lines.  These are the relavent lines I grepped from
elphon.f90:

  REWIND (iudyn)
  READ (iudyn, '(a)') line
  READ (iudyn, '(a)') line
  READ (iudyn, * ) ntyp_, nat_, ibrav_, celldm_
  DO na = 1, nat
     READ (iudyn, * ) i, ityp_, tau_
     IF (na.NE.i.OR.ityp_.NE.ityp (na) ) CALL errore ('readmat', &
          'inconsistent data', 10 + na)
  ENDDO

  I guess we might need to insert some commands here for ibrav=0.

  I hope my understanding here is correct, but please forgive me if I rised a
stupid question.  Recently I updated my Quantum-ESPRESSO to the newest version
from version 2.1.4, so there are some parts become unfamiliar to me.  I guess I
need to update it more often.

  Cheers

Yansun

Yansun Yao
Steacie Institute for Molecular Sciences
National Research Council of Canada
100 Sussex Drive
Ottawa, Ontario K1A 0R6