<div dir="ltr"> Dear QE users<br><br clear="all">let us suppose that I doped GaP with Cr atom using 2*2*2 supercell, how we<br>
will write the starting_magnetization/total_magnetization ? Is it write one<br>
time or for all atoms Ga, P and Cr like that<br>
starting_magnetization (1)= 0.6 for Ga<br>
starting_magnetization (2)= 0.6 for P<br>
starting_magnetization (3)= 0.6 for Cr<br>
<br>
 please correct the following segment:<br>
<br>
&SYSTEM<br>
                       ibrav = 2,<br>
                   celldm(1) = 10.41 ,<br>
                         nat = 64,<br>
                        ntyp = 3,<br>
                     ecutwfc = 40 ,<br>
                     ecutrho = 400 ,<br>
                 occupations = 'smearing' ,<br>
                     degauss = 0.01 ,<br>
                    smearing = 'methfessel-paxton' ,<br>
                       nspin = 2,<br>
   starting_magnetization(1) = 0.6,<br><br><br><br>-- <br><div class="gmail_signature"><div dir="ltr">- with regards<br>Dr. Hardev Singh<br>D.S. Kothari Postdoctoral Research Fellow<div>Department of Physics<br><div>Panjab University, Chandigarh<br><div><div>Mob: 09728915004</div></div></div></div></div></div>
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