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Dear all,

When I perform the non-linear response calculation of  a monoclinic system. I 
meet some problem of dataset 5. The dataset 1~4 is calculated OK.  Who can 
give me some advice?

getshell : COMMENT -
 The linear system of equations that define the weighting factors
 cannot be solved (info1 /= 0).
 The programm will try to include one more shell of nearest neighbours

 info1 =            4

 getshell : BUG -
 There is a problem with the finite difference expression of the ddk
  Action : contact ABINIT group.

 Delivered    2 WARNINGs and   3 COMMENTs to log file.
-P-0000
-P-0000  leave_new : decision taken to exit ...

I follow the example of trf2_1.in to make my input file. 

Inputfile

ndtset 5

# Set 1 : initial self-consistency

kptopt1   1
tolvrs1 1.0d-15
prtden1 1

#DATASET2 : non scf calculation: GS WF in the whole BZ
#*****************************************************
   getden2    1
   kptopt2    2
     iscf2   -2
   getwfk2    1
   tolwfr2    1.0d-15
    nbdbuf    0

#DATASET3 : ddk on the MP grid of k-points
#*****************************************
   getwfk3    2
    rfdir3    1 1 1
   rfelfd3    2
   tolwfr3    1.0d-15
   kptopt3    2

#DATASET4 : ddE on the MP grid of k-points
#*****************************************
   prtden4    1
   getwfk4    2
   getddk4    3
    rfdir4    1 1 1
   rfphon4    1
  rfatpol4    1 12
   tolvrs4    1.0d-12
   rfelfd4    3
   kptopt4    2
  prepanl4    1

#DATASET5 : 3DTE calculation
#***************************
   getden5    1
  get1den5    4
   getwfk5    2
   get1wf5    4
   kptopt5    2
optdriver5    5

#DATASET2 : non scf calculation: GS WF in the whole BZ
#*****************************************************
   getden2    1
   kptopt2    2
     iscf2   -2
   getwfk2    1
   tolwfr2    1.0d-15
    nbdbuf    0

#DATASET3 : ddk on the MP grid of k-points
#*****************************************
   getwfk3    2
    rfdir3    1 1 1
   rfelfd3    2
   tolwfr3    1.0d-15
   kptopt3    2

#DATASET4 : ddE on the MP grid of k-points
#*****************************************
   prtden4    1
   getwfk4    2
   getddk4    3
    rfdir4    1 1 1
   rfphon4    1
  rfatpol4    1 12
   tolvrs4    1.0d-12
   rfelfd4    3
   kptopt4    2
  prepanl4    1

#DATASET5 : 3DTE calculation
#***************************
   getden5    1
  get1den5    4
   getwfk5    2
   get1wf5    4
   kptopt5    2
optdriver5    5
  rf1elfd5    1
  rf1phon5    1
  rf1atpol5    1 12
   rf1dir5    1 1 1
  rf2elfd5    1
   rf2dir5    1 1 1
  rf3elfd5    1
   rf3dir5    1 1 1


#comon input data
 iscf 5
# occopt 3
 nband 38
 diemix 0.3
 nshiftk 1
 shiftk 0.5 0.5 0.5
 ngkpt 6 6 6
 ecutsm   0.5
 ntypat   2
 nstep    500
 znucl    77 7
 natom 12
 typat 1 1 1 1 2 2 2 2 2 2 2 2
 ecut 55.0
 diemac 2.0
     acell    9.0958095065E+00  9.1969964974E+00  9.1686942772E+00 Bohr
  angdeg  90.00000000 108.25458487  90.00000000 degrees
 xred
       0.266116449348     -0.000193496991      0.278753854069
       0.733883550652      0.499806503009      0.221246145931
       0.733883550652      1.000193496969      0.721246145931
       0.266116449348      0.500193496969      0.778753854069
       0.176370441747      0.586262754461      0.340066805578
       0.313598715760      0.403307763343      0.201269557436
       0.823629558253      0.086262754461      0.159933194422
       0.686401284240      0.903307763343      0.298730442564
       0.823629558253      0.413737245517      0.659933194422
       0.686401284240      0.596692236635      0.798730442564
       0.176370441747      0.913737245517      0.840066805578
       0.313598715760      0.096692236635      0.701269557436