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[sara yazdani <sarayazdani@yahoo.com>]

Dear Sir,

Thanks for your kind replies to my emails.

I have enclosed an input file which is to calculate the response function of 
the bulk system to homogeneous electric field.

I have also enclosed the log file which shows the completed run, but it has 
already delivered something around 15000 warnings, most of them occurring for 
a warning called "cgwf3" which occurs for circulation around optimum energy!!!

I have tested the same input for AlAs, the same warning occurred, but the 
number of it was only 15.

Please let me know how to get rif of it, while as you see it has had its 
affect on the result as well.

Regards,
Sara

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Attachment: cgwf3.rar
Description: Binary data

# computation of the response to homogeneous
# electric field and atomic displacements, at q=0

  #prtvol  -1
  ndtset  3

#Ground state calculation
  kptopt1   1        
  tolvrs1   1.0d-18  
   iscf1   7     

#Response Function calculation : d/dk
  rfelfd2   2        
  rfdir2   1 1 1                                                              
         
  nqpt2   1
  qpt2   0.0 0.0 0.0  
  getwfk2   -1           
  kptopt2   2                                       
  iscf2  -3            
  tolwfr2   1.0d-20       

#Response Function calculation : electric field perturbation and phonons
  rfphon3   1             
 rfatpol3   1 4          
 rfelfd3   3            
 rfdir3   1 1 1                                                          
    nqpt3   1
     qpt3   0.0 0.0 0.0 
  getwfk3   -2          
  getddk3   -1          
  kptopt3   2                                                          
  tolvrs3   1.0d-18
    iscf3   7            


#######################################################################
#Common input variables

#Definition of the unit cell
acell  6.0435719656E+00  6.0435719656E+00  9.7654330372E+00 Bohr        
angdeg 90 90 120 

#Definition of the atom types
ntypat 2               
znucl 30 8            

#Definition of the atoms
natom 4                
typat 2*1 2*2         
xred   3.3333333333E-01  6.6666666667E-01  2.2204121679E-16
       6.6666666667E-01  3.3333333333E-01  5.0000000000E-01
       3.3333333333E-01  6.6666666667E-01  3.7856984894E-01
       6.6666666667E-01  3.3333333333E-01  8.7856984894E-01                 
                       
  
#Gives the number of band, explicitely (do not take the default)
nband  26    

#Definition of the planewave basis set
ecut    45          
ecutsm 0.5

#Definition of the k-point grid
kptrlatt  7  0  0
          0  7  0
          0  0  5
nshiftk   1              
 shiftk   0.0 0.0 0.5   
kptopt    1  
                      
#Definition of the SCF procedure
nstep 500              
iprcel 45  
iscf 7