[Pw_forum] "Inconsistent nr1, nr2, nr3 read" during e-ph coupling calculation

[陶鹏]

Dear all,

When I calculate the e-ph coupling constant with matdyn.x, I happen to meet an error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from readfG : error #         1
      inconsistent nr1, nr2, nr3 read
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I'v found that it is the mx /=nrx,(x=1,2,3) in the file matdyn.f90. But I still do not know how to do with the problem.

My input files:
pb.scf.fit.in(scf and a2f with dense grid)
 &control
    calculation='scf'
    restart_mode='from_scratch',
    prefix='pb',
    pseudo_dir = './',
    outdir=./trat/',
    tstress=.true.
 /
 &system
    ibrav=  2, celldm(1) =9.02, nat= 1, ntyp= 1,
    ecutwfc =40.0,
    occupations='smearing', smearing='methfessel-paxton', degauss=0.05,
    la2F = .true.,
 /
 &electrons
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
 Pb  207.2 Pb.pz-bhs.UPF
ATOMIC_POSITIONS
 Pb 0.00 0.00 0.00
K_POINTS {automatic}
32 32 32  0 0 0
-------------------------
pb.scf.in(ordinary scf)
 &control
    calculation='scf'
    restart_mode='from_scratch',
    prefix='pb',
    pseudo_dir = './',
    outdir='./trat/'
    tstress=.true.
 /
 &system
    ibrav=  2, celldm(1) =9.02, nat= 1, ntyp= 1,
    ecutwfc =40.0,
    occupations='smearing', smearing='methfessel-paxton', degauss=0.05,
 /
 &electrons
    mixing_beta = 0.7
 /
ATOMIC_SPECIES
 Pb  207.2 Pb.pz-bhs.UPF
ATOMIC_POSITIONS
 Pb 0.00 0.00 0.00
K_POINTS {automatic}
 16 16 16  0 0 0
-------------------
pb.elph.in(el-ph calculation)
 &inputph
  prefix='pb',
  fildvscf='pbdv',
  amass(1)=207.2,
  outdir='./trat/',
  fildyn='pb.dyn',
  elph=.true.,
  trans=.true.,
  ldisp=.true.
  nq1=8, nq2=8, nq3=8
 /



--
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PH.D. candidate Peng Tao 
Magnetism and Magnetic Materials Division
National Laboratory for Material Science
Institute of Metal Research, Chinese Academy of Sciences
Phone  +86-024-83978751
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