problem in moemnt magnetic

Posted on : May 05, 2018 (Sat) 19:44:31

by houssine

Dear professor,
When I run the go program of my system GaN i made a doping with Cr element and co-doping with Cr and Co, for both situations I find the moment null and when I trace Total Dos it gives me symmetry,
which is magnetic it gives me a zero magnetic momment! I don't know why!
here is input on which I work thank you very much
c---------------------------------- 0 ----------------------------------
c now # can be used as comment lines as well
c--------------------------------------------
go data/GaN hcp 6.026714122776,1.625768217735,1.0,90.0,90.0,120.0,
0.001 1.2 sra gga91 mag 2nd
update 5 700 0.020
4
c--------------------------------------------
c name of type, number of components, rtr,
c field, lmax, atomic number, concentration
c--------------------------------------------
Ga 2 0 0.0 2 31 94
24 6
N 1 0 0.0 2 7 100
Vc_1 1 0 0.0 2 0 100
Vc_2 1 0 0.0 2 0 100
8
0.28867513 0.50000000 0.61291462 Ga
0.57735027 0.00000000 1.42579873 Ga
0.28867513 0.50000000 0.00000000 N
0.57735027 0.00000000 0.81288411 N
0.00000000 0.00000000 0.27096137 Vc_1
-0.00000000 0.00000000 -0.54192274 Vc_1
-0.28867513 0.50000000 0.33870171 Vc_2
0.28867513 -0.50000000 -0.47418240 Vc_2

Thank you for your help