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[syrzhuang@googlemail.com]

Dear all,

   If I want to calculate the magnetic moment of all atoms for magnetic 
system, how do I set up the related variables?
The system I used is a 5-layer copper 2x2 supercell which is adsorbed by 
single Co adatom on each side. There are 42 atoms in this cell(2 Co adatoms 
and 40 copper atoms).  

The following is my input file:

ecut 30.0

occopt 4
tsmear 0.01

nsppol 2
spinat 0.0 0.0 2.0  
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 0.0  0.0 0.0 0.0
       0.0 0.0 2.0

#Definition of the unit cell
acell 3*6.9715454514   
rprim  2.0  0.0  0.0   
       0.0  2.0  0.0 
       0.0  0.0  5.0

#Optimization of the lattice parameters
optcell 6
ionmov  3
ntime  30
dilatmx 1.1
ecutsm  10.0

#Definition of the atom types
ntypat 2          
znucl 29 27                                

#Definition of the atoms
natom 42          
typat 2 40*1 2    
xcart   
    0.0            6.9715454514    0.0          
    0.0            3.4857727257    1.5     
    0.0           10.4573181771    1.5
    3.4857727257   0.0             1.5
    3.4857727257   6.9715454514    1.5
    6.9715454514   3.4857727257    1.5
    6.9715454514  10.4573181771    1.5
   10.4573181771   0.0             1.5
   10.4573181771   6.9715454514    1.5
    0.0            0.0             4.87108
    0.0            6.9715454514    4.87108
    3.4857727257   3.4857727257    4.87108
    3.4857727257  10.4573181771    4.87108
    6.9715454514   0.0             4.87108
    6.9715454514   6.9715454514    4.87108
   10.4573181771   3.4857727257    4.87108
   10.4573181771  10.4573181771    4.87108
    0.0            3.4857727257    8.34736
    0.0           10.4573181771    8.34736
    3.4857727257   0.0             8.34736
    3.4857727257   6.9715454514    8.34736
    6.9715454514   3.4857727257    8.34736
    6.9715454514  10.4573181771    8.34736
   10.4573181771   0.0             8.34736
   10.4573181771   6.9715454514    8.34736
    0.0            0.0            11.82364
    0.0            6.9715454514   11.82364
    3.4857727257   3.4857727257   11.82364
    3.4857727257  10.4573181771   11.82364
    6.9715454514   0.0            11.82364
    6.9715454514   6.9715454514   11.82364
   10.4573181771   3.4857727257   11.82364
   10.4573181771  10.4573181771   11.82364
    0.0            3.4857727257   15.19472
    0.0           10.4573181771   15.19472
    3.4857727257   0.0            15.19472
    3.4857727257   6.9715454514   15.19472
    6.9715454514   3.4857727257   15.19472
    6.9715454514  10.4573181771   15.19472
   10.4573181771   0.0            15.19472
   10.4573181771   6.9715454514   15.19472
    0.0            6.9715454514   16.69472
   

#Exchange-correlation functional
ixc 11            #  PBE GGA functional

#Definition of the k-point grid
kptopt 1          
ngkpt 4 4 1       
nshiftk 2         
shiftk 0.5 0.0 0.0
       0.0 0.5 0.0

#Definition of the SCF procedure
nstep 30          
toldfe 1.0d-4     


Should I give an initial "spinat" values for each atom?
If not,how to do this?
which variables are related to the calculation of the LDOS and the magnetic 
moment?
Looking forward to your reply.

Best regards,
Huang renzhong.