[Pw_forum] Wrong representation in 5.0

[Davide Ceresoli]

Dear all,
     I'm performing a phonon calculation on cubic cell (ibrav=1)
containing 65 atoms (64 + 1 impurity).

With espresso-4.3.2 there are no problems, however, using 5.0, PH
terminates with:

  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine set_irr_sym (3322):
      wrong representation
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...

PW reports that there are 6 symmetry operations. In short:

       6 Sym. Ops. (no inversion) found
       isym =  1     identity
       isym =  2     120 deg rotation - cart. axis [-1,-1,-1]
       isym =  3     120 deg rotation - cart. axis [1,1,1]
       isym =  4     inv. 180 deg rotation - cart. axis [1,-1,0]
       isym =  5     inv. 180 deg rotation - cart. axis [-1,0,1]
       isym =  6     inv. 180 deg rotation - cart. axis [0,1,-1]

      point group C_3v (3m)
      there are  3 classes
      the character table:

        E     2C3   3s_v
A_1    1.00  1.00  1.00
A_2    1.00  1.00 -1.00
E      2.00 -1.00  0.00

      the symmetry operations in each class:
      E        1
      2C3      2    3
      3s_v     4    5    6

I can supply input coordinates and output files to whoever knows
how to fix this problem with PH in version 5.0.

Best regards,
     Davide