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[you peng <pengyoucool@yahoo.com.cn>]

Dear abinit users,
      When I used the input file number1 in GW calculation in the tutorial, I encountered some problems. I focus on the orthorhombic cell ,and I have modified the input parameters in tgw_1.in. But after I run abinis,it paused with error. The log file says as follows,

        DATASET    1 : space group Pn m a (# 62); Bravais oP (primitive ortho.)
 getkgrid : length of smallest supercell vector (bohr)=    3.390926E+01
       Simple Lattice Grid
 symkpt : found identity, with number  1

 inkpts : istwfk preprocessed, gives following first values (max. 6): 1 1 1 1 1 1

 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)
        
         But when I increased the nband1,there is also error with "bdgw3".      
 In my case,there are 10 bands occupied.So I set "bdgw3=10  11",and "nband1=21". I don't know what's wrong with my input file. Besides,I am not clear with "istwfk1",although I have looked through the tutorial and input variables. I don't know how to adjust "istwfk1" according to specific cases.
       Look forward to your help. Thank you very
 much.

                                                                                              
 yours,

                                                                                               Friend

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