problem in moemnt magnetic

Posted on : May 29, 2018 (Tue) 11:58:21

by houssine

Dear Professor Akai;
When I run the go program of my system GaN i made a doping with Co element I find the moment nul
here is input on which I work thank you very much
c----------------------GaN----------------------------------
go data/gan
c------------------------------------------------------------
c brvtyp a c/a b/a alpha beta gamma
hex 6.026714123 , 1.62576821773 , 1.0 , 90 , 90 , 120 ,
c------------------------------------------------------------
c edelt ewidth reltyp sdftyp magtyp record
0.001 1 sra gga91 mag 2nd
c------------------------------------------------------------
c outtyp bzqlty maxitr pmix
update 4 150 0.02
c------------------------------------------------------------
c ntyp
4
c------------------------------------------------------------
c type ncmp rmt field mxl anclr conc
Ga 2 1 0.0 2 31 98
27 2
N 1 1 0.0 2 7 100
Vc_1 1 1 0.0 0 0 100
Vc_2 1 1 0.0 0 0 100
c------------------------------------------------------------
c natm
8
c------------------------------------------------------------

0.33333300 -0.33333300 0.00000000 Ga
-0.33333300 0.33333300 -0.50000000 Ga
0.33333300 -0.33333300 0.37480000 N
-0.33333300 0.33333300 -0.12520000 N
0.00000000 0.00000000 -0.28286000 Vc_1
0.00000000 0.00000000 0.21714000 Vc_1
0.33333300 -0.33333300 -0.32608900 Vc_2
-0.33333300 0.33333300 0.17391100 Vc_2