[Pw_forum] a problem in calculation force constant with q2r.x.

[shoutian sun]

>Dear all,
>I have a problem in calculation force constant with q2r.x.
>Here are my input files of pw.x ph.x q2r.x. I am so sad. Please tell
 me the reasons . I need your help, anybody. Thank you.
+++++++++++++++++++++++++++++++scf.in
&CONTROL
   calculation =   'scf' ,
   restart_mode = 'from_scratch' ,
   outdir='/home/user/ecnuphyk/SUN/tmp/tmp-p1/' ,
   pseudo_dir = '/home/user/ecnuphyk/SUN/pseudo/' ,
   prefix='alh3' ,
   tstress = .true. ,
   tprnfor = .true. ,
               etot_conv_thr = 1.0E-5  ,
               forc_conv_thr = 1.0D-4 ,
 /
 &SYSTEM
   ibrav = 0 ,
   celldm(1) = 1.889725988578923203102406997093   ,
                         nat  =  16 ,
                        ntyp  =  2 ,
                       nspin  =  1
                     ecutwfc  =  44.0982 ,
 /
 &ELECTRONS
                    conv_thr  =  1.0d-7  ,
                  mixing_beta = 0.7 ,
 /
CELL_PARAMETERS (alat)
...
ATOMIC_SPECIES
...
ATOMIC_POSITIONS {crystal}
...
K_POINTS automatic
  4 4 3 0 0  0
++++++++++++++++++++++++++++ph.in
&inputph
  tr2_ph=1.0d-12,
  prefix='alh3',
  ldisp=.true.,
  nq1=4, nq2=4, nq3=3
  epsil=.true. ,
  amass(1)=26.98,
  amass(2)=1.0,
  outdir= '/home/user/ecnuphyk/SUN/tmp/tmp-p1/' ,
  fildyn='alh3.dyn',
 /
+++++++++++++++++++++++++++++q2r.in
 &input
   fildyn='alh3.dyn', zasr='simple', flfrc='alh3444.fc'
 /
++++++++++++++++++++++++++++q2r.in.out   (The error )
  reading grid info from file alh3.dyn0
  reading force constants from file alh3.dyn1
 macroscopic fields =  T
   4.51585   0.00000  -0.08800
   0.00000   4.37104   0.00000
  -0.08800   0.00000   4.43104
  na=             1
   2.74722  -0.27565  -0.08418
   0.24590   2.66281   0.41340
  -0.11507  -0.40383   2.71996
  na=             2
   2.74722   0.27565  -0.08418
  -0.32097   2.64842  -0.40555
  -0.11506   0.40383   2.71996
  na=             3
   2.74722  -0.27565  -0.08418
   0.24590   2.66281   0.41340
  -0.11507  -0.40383   2.71996
  na=             4
   2.74722   0.27565  -0.08418
  -0.32097   2.64842  -0.40555
  -0.11507   0.40383   2.71996
  na=             5
  -0.62424   0.00001   0.05784
  -0.00008  -0.63566  -0.00071
   0.06224  -0.00088  -1.42838
  na=             6
  -1.06619  -0.39916   0.01343
  -0.40231  -0.99561   0.02342
   0.01086   0.02141  -0.62960
  na=             7
  -1.06619   0.39915   0.01342
   0.40230  -0.99561  -0.02341
   0.01086  -0.02142  -0.62960
  na=             8
  -0.62424  -0.00002   0.05784
   0.00007  -0.63566   0.00072
   0.06224   0.00091  -1.42838
  na=             9
  -1.06613   0.39958   0.01388
   0.40245  -0.99702  -0.02390
   0.01136  -0.02197  -0.62981
  na=            10
  -1.06613  -0.39958   0.01389
  -0.40245  -0.99702   0.02391
   0.01136   0.02197  -0.62981
  na=            11
  -0.62425   0.00002   0.05784
  -0.00007  -0.63567  -0.00072
   0.06224  -0.00091  -1.42827
  na=            12
  -1.06613   0.39959   0.01389
   0.40248  -0.99704  -0.02391
   0.01135  -0.02197  -0.62985
  na=            13
  -1.06613  -0.39959   0.01388
  -0.40247  -0.99704   0.02390
   0.01136   0.02198  -0.62985
  na=            14
  -1.06619  -0.39916   0.01342
  -0.40233  -0.99564   0.02341
   0.01085   0.02143  -0.62963
  na=            15
  -1.06619   0.39916   0.01343
   0.40233  -0.99563  -0.02342
   0.01085  -0.02142  -0.62963
  na=            16
  -0.62425  -0.00001   0.05784
   0.00008  -0.63567   0.00071
   0.06223   0.00088  -1.42827
  nqs=             1
 q=   0.00000000  0.00000000  0.00000000
  reading force constants from file alh3.dyn2
  nqs=             2
 q=   0.00095372  0.00000000  0.05148507
   1   1   1


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from init : error #         1
      nc already filled: wrong q grid or wrong nr

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

>************************************************************************



       
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