[Pw_forum] ”wrong representation“ from ”set_irr_sym“

[xirainbow]

Dear all:
          I run ph.x (PHonon-5.0) with the error below:
*"     from set_irr_sym : error #       811*
*     wrong representation "*

         I followed the instruction at here (
http://qe-forge.org/pipermail/pw_forum/2012-July/099123.html) and changed
the 258 line in PH/set_irr.f90 to "*(ABS(eigen(imode)) + ABS (eigen (jmode)
)) < 1.d0) ) THEN*".
         But my computation failed.
         Can you give me any suggestion?
         Thanks in advance ：）

        The following is my input file:
                    SCF calulation:
 &control
     calculation='scf',
     disk_io='low',
     restart_mode='from_scratch',
     prefix='BH'
     pseudo_dir = '/espresso-5.0/pseudo',
     outdir='/tmp'
  /
  &system
     ibrav = 0, celldm(1) = 1.88972687777436, nat= 8, ntyp= 2,
     ecutwfc = 55.0
     ecutrho = 450.0
     occupations = 'fixed'
  /
  &electrons
     mixing_beta = 0.7
     conv_thr =  1.0d-8
  /
 ATOMIC_SPECIES
  H   1.008  H.pbe-rrkjus_psl.0.1.UPF
  B   10.81  B.pbe-n-rrkjus_psl.0.1.UPF
 ATOMIC_POSITIONS {crystal}
 H        0.066715364   0.527911320   0.250000085
 H        0.933284621   0.472088680   0.749999915
 H        0.933283444   1.027910222   0.250000110
 H        0.066716541  -0.027910219   0.749999890
 B        0.377908845   0.411526837   0.250000973
 B        0.622091155   0.588473193   0.749999027
 B        0.622092381   0.911528447   0.250001039
 B        0.377907619   0.088471531   0.749998961
 K_POINTS {automatic}
   8 10 12 0.0 0.0 0.0
 CELL_PARAMETERS
    3.425048353   0.000000000   0.000000000
    0.000000000   2.822880790   0.000000000
    0.000000000   0.000000000   2.643342353


                    PHonon calulation:
&inputph
   tr2_ph=1.0d-14,
   alpha_mix=0.7
   ldisp=.true.,
   nq1=4, nq2=5, nq3=6
   prefix='BH'
   amass(1)=1.008,
   amass(2)=10.81,
   outdir='/tmp'
   fildyn='BH.dynG',
   reduce_io=.TRUE.
  /




-- 
____________________________________
Hui Wang
School of physics, Fudan University, Shanghai, China
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