[Re:03] problem in moemnt magnetic

Posted on : June 04, 2018 (Mon) 09:50:30

by Administrator

I definitely got the magnetic state using the indicated input.
Check if you are using the latest version of AkaiKKR code: cpa2002v010
If it is not the case down load it from the web site.

Or, you may put some external field field for the first run (may be 40 iterations). Then switch off the external field. You will certainly get a magnetic state.
DO NOT FORGET to switch off the external field once you have a stable
magnetic state. Below you will find the sample where magnetic field of
0.05 is applied on Ga and N sites.

c------------------------------------------------------------
c type ncmp rmt field mxl anclr conc
Ga 2 1 0.05 2 31 98
27 2
N 1 1 0.05 2 7 100
Vc_1 1 1 0.0 0 0 100
Vc_2 1 1 0.0 0 0 100
c------------------------------------------------------------