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[scabuk@cu.edu.tr]

Dear abinit users,

 I would like to calculate some structure parameters the orthorhombic phase 
Amm2(38) of KNbO3. But I couldn't get the space group Amm2. Output file was 
given me the space group Pmm2 (#25). I can use LDA pseudopotentials. How can 
I get the space group Amm2 ? I will be very glad if you could help me.
Thank you for your attention.

Best Regards.

Suleyman Cabuk
email:scabuk@cu.edu.tr  



My input file:

# Crystalline KNbO3 : computation of the total energy
#Definition of the k-point grids
kptopt 1          

ngkpt  8 8 8

getwfk -1         

ecut  35.0

acell    10.766  7.504  10.809       
angdeg 90.0 90.0 90.0 

rprim  1.0  0.0  0.0   # or 1 0 0
       0.0  0.5  -0.5  #    0 1 0 
       0.0  0.5  0.5   #    0 0 1

ntypat 3         
znucl 19 41 8         

natom 10        
typat 1 1 2 2 3 3 3 3 3 3        
xred              
   0.0  0.5    0.517  #K1  
   0.0  0.0    0.017  #K2
   0.0  0.0    0.0    #Nb1 
   0.0  0.5    0.5    #Nb2
   0.0  0.5    0.021  #OI_1
   0.0  0.0    0.521  #OI_2
   0.254 0.0   0.285  #OII_1
   0.746 0.0  0.285  #OII_2
   0.254 0.0  0.785  #OIII_3
   0.746 0.0  0.785  #OII_4

nstep 1000           
toldfe 1.0d-6     

Output file:
Symmetries : space group Pm m 2 (# 25); Bravais oP (primitive ortho.)
===============================================================================
 Values of the parameters that define the memory need of the present run
   intxc =         0  ionmov =         0    iscf =         5     ixc =        
7
  lmnmax =         4   lnmax =         4   mband =        26  mffmem =        
1
P  mgfft =        60   mkmem =        64 mpssoang=         4     mpw =     
4340
  mqgrid =      1201   natom =        10    nfft =     81000    nkpt =       
64
  nloalg =         4  nspden =         1 nspinor =         1  nsppol =        
1
    nsym =         4  n1xccc =      2501  ntypat =         3  occopt =        
1
===============================================================================