[Pw_forum] regarding starting magnetization

[Hardev Singh]

 Dear QE users

let us suppose that I doped GaP with Cr atom using 2*2*2 supercell, how we
will write the starting_magnetization/total_magnetization ? Is it write one
time or for all atoms Ga, P and Cr like that
starting_magnetization (1)= 0.6 for Ga
starting_magnetization (2)= 0.6 for P
starting_magnetization (3)= 0.6 for Cr

 please correct the following segment:

&SYSTEM
                       ibrav = 2,
                   celldm(1) = 10.41 ,
                         nat = 64,
                        ntyp = 3,
                     ecutwfc = 40 ,
                     ecutrho = 400 ,
                 occupations = 'smearing' ,
                     degauss = 0.01 ,
                    smearing = 'methfessel-paxton' ,
                       nspin = 2,
   starting_magnetization(1) = 0.6,



-- 
- with regards
Dr. Hardev Singh
D.S. Kothari Postdoctoral Research Fellow
Department of Physics
Panjab University, Chandigarh
Mob: 09728915004
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