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[bond james <champbond1983@gmail.com>]

hi 2 all,
 I am new to Abinit user and not very much expert in setting parameters.
First of all , is there any option so that i can get all the questions posted to the forum on my gmail ID ??? Please advice.

Secondly i want to calculate linear and non linear optic properties of YVO4. So being a starter i edit the GaAs example (i know that the convergance are too low) but first of all i want to see that my input files is right or not. Please help.
I am getting error as

chkneu : ERROR -
  Initialization of occ, with occopt=   1
  There are not enough bands to get charge balance right
 Action : modify input file ...
  (check the pseudopotential charges, the variable charge,
  and the declared number of bands, nband)

 leave_new : decision taken to exit ...

INPUT file
===================
ndtset 6

#First dataset : SC run with kpoints in the IBZ
   iscf1  3
  nband1  4    
  nstep1 25  
 kptopt1 1
 nbdbuf1 0
 prtden1 1   getden1 0   getwfk1 0    ! Usual file handling data

#Second dataset : NSC run with large number of bands, and points in the IBZ
    iscf2 -2 
   nband2 20  ! This number of bands might be too low for non-linear optics and real part of linear optics
   nstep2 25
  kptopt2  1
  getwfk2  1   getden2 1   ! Usual file handling data

#Third dataset : NSC run with large number of bands, and points in the the full BZ
    iscf3 -2 
   nband3 20  ! This number of bands might be too low for non-linear optics and real part of linear optics
   nstep3 25
  kptopt3  3
  getwfk3  2   getden3 1   ! Usual file handling data


#Fourth dataset : ddk response function along axis 1
   iscf4 -3
  nband4 20   ! This number of bands might be too low for non-linear optics and real part of linear optics
  nstep4  1  nline4  0
 kptopt4  3

   nqpt4  1  qpt4  0.0d0 0.0d0 0.0d0
  rfdir4  1 0 0
 rfelfd4  2
 getwfk4  3

#Fifth dataset : ddk response function along axis 2
   iscf5 -3
  nband5 20   ! This number of bands might be too low for non-linear optics and real part of linear optics
  nstep5  1  nline5  0
 kptopt5  3

   nqpt5  1  qpt5  0.0d0 0.0d0 0.0d0
  rfdir5  0 1 0
 rfelfd5  2
 getwfk5  3

#Sixth dataset : ddk response function along axis 3
   iscf6 -3
  nband6 20   ! This number of bands might be too low for non-linear optics and real part of linear optics
  nstep6  1  nline6  0
 kptopt6  3

   nqpt6  1  qpt6  0.0d0 0.0d0 0.0d0
  rfdir6  0 0 1
 rfelfd6  2
 getwfk6  3


#Data common to all datasets
 nshiftk 1
 shiftk  0.0 0.0 0.5
 getwfk -1
 ngkpt  4  4  3      

 acell  1.00 1.00 1.00
 # amu  88.90585  50.9415 15.9994
 diemac 2.0
 ecut 10.00           
 iscf 3
 ixc 3
 natom  12
 ntypat  3
 occopt 1,
 rprim  
13.451076 0.00000000000000 0.00000000000000
0.00000000000000 13.451076 0.00000000000000
6.725538 6.725538 5.942245
 xred 
 -0.12500000 -0.37500000 0.25000000
0.12500000 0.37500000 -0.25000000
-0.37500000 -0.12500000 -0.25000000
0.37500000 0.12500000 0.25000000
-0.19530000 -0.12920000 0.39060000
-0.19530000 0.23860000 0.39060000
-0.26140000 0.30470000 -0.10940000
0.37080000 0.30470000 -0.10940000
0.19530000 0.12920000 -0.39060000
0.19530000 -0.23860000 -0.39060000
0.26140000 -0.30470000 0.10940000
-0.37080000 -0.30470000 0.10940000
 tnons 72*0.0
 typat 2*1 2*2 8*3
 znucl  39 23 8

please help and advice how to proceed.
Thanks 2 all of you,
Dev, JRF
Univeristy of Delhi