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[Dev Sharma <champbond1983@gmail.com>]

hi 2 all,
i was trying to calculate the GW corrected band gap for YVO4 , but i got the error as

m_gsphere.F90:160:ERROR
  G-shell not closed
  Initial G vector   245/  344    -1   -2   -3 Rotated G vector     1    2    3
  Through sym   1 and itim   2

 leave_new : decision taken to exit ...

Please help. 
My Input file is below


ndtset      3

# Definition of parameters for the calculation of the KSS file
nbandkss1   -1         # Number of bands in KSS file (-1 means the maximum possible)
nband1      100         # Number of (occ and empty) bands to be computed
#istwfk1     10*1

# Calculation of the screening (epsilon^-1 matrix)
optdriver2  3        # Screening calculation
getkss2     -1       # Obtain KSS file from previous dataset
nband2      115       # Bands to be used in the screening calculation
ecutwfn2    2.1      # Cut-off energy of the planewave set to represent the wavefunctions
ecuteps2    3.6      # Cut-off energy of the planewave set to represent the dielectric matrix
ppmfrq2    16.7 eV  # Imaginary frequency where to calculate the screening
awtr2       0       # Note : the default awtr 1 is better

# Calculation of the Self-Energy matrix elements (GW corrections)
optdriver3  4        # Self-Energy calculation
getkss3     -2       # Obtain KSS file from dataset 1
getscr3     -1       # Obtain SCR file from previous dataset
nband3      120       # Bands to be used in the Self-Energy calculation
ecutwfn3     2.0     # Planewaves to be used to represent the wavefunctions
ecutsigx3     5.0     # Dimension of the G sum in Sigma_x
                     # (the dimension in Sigma_c is controlled by npweps)
nkptgw3      1                # number of k-point where to calculate the GW correction
kptgw3                       # k-points
  0.0    0.000    0.000
bdgw3       41  42             # calculate GW corrections for bands from 4 to 5


# Data common to the three different datasets

acell 13.451637476  13.451637476  11.885054518   
angdeg  90 90 90 

#Definition of the atom types
ntypat 3          # There r 3 type of atom
znucl 39 23 8          # The keyword "znucl" refers to the atomic number of the
                  # possible type(s) of atom.  (39- Y, 23 -V  and 8-O)
                        
                         
#Definition of the atoms
natom 24          
typat 1 1 1 1 2 2 2 2  3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3        
xangst               
             0.000000000   5.338725356    0.786162553
             3.559150238   1.779575118    3.930812762
             3.559150238   5.338725356    2.358487657
             0.000000000   1.779575118    5.503137866
             0.000000000   1.779575118    2.358487657
             3.559150238   5.338725356    5.503137866
             0.000000000   5.338725356    3.930812762
             3.559150238   1.779575118    0.786162553
             0.000000000   3.090765987    1.262891534
             3.559150238   6.649916224    4.407541744
             3.559150238   4.027534488    4.407541744
             0.000000000   0.468384251    1.262891534
             5.807109607   5.338725356    2.835216639
             4.870341106   1.779575118    5.979866849
             3.559150238   3.090765987    1.881758675
             0.000000000   6.649916224    5.026408885
             0.000000000   4.027534488    5.026408885
             3.559150238   0.468384251    1.881758675
             4.870341106   5.338725356    0.30943357
             5.807109607   1.779575118    3.45408378
             1.311190868   1.779575118    3.45408378
             2.247959369   5.338725356    0.30943357
             2.247959369   1.779575118    5.979866849
             1.311190868   5.338725356    2.835216639

# Definition of the k-point grid
kptopt  1            # Option for the automatic generation of k points,
nkpt    4
ngkpt   2 2 2  # use 4 4 4
nshiftk 1
shiftk  
        0.0 0.0 0.5
istwfk  24*1          # This is mandatory in all the GW steps.

# Definition of the planewave basis set (at convergence 16 Rydberg 8 Hartree)
ecut 2.0          # use 10 or more

symmorphi 1

# Definition of the SCF procedure
nstep   100        # Maximal number of SCF cycles
toldfe  1.0d-1    # Will stop when this tolerance is achieved on total energy
diemac  12.0      # Although this is not mandatory, it is worth to
  
 iscf 5
 nsym 1