Dear Experts,

I am running non-collinear magnetism calculations with 6 atoms, SQAXIS =001 and beta =+-20 degree
I want to minimize the b_constrain, so use "l_constr=T". however, it is not converged up to four digits for atoms 3 and 4. (Kindly look into the nocoinp file).

what are the parameters that can make the b_const minimize for atoms 3 and 4 (magnetic elements) and how can i control M as well.

atom-type 1,l_relax=F,l_magn=F,M= 0.00103,magtype=
alpha = 0.0000000000,b_cons_x = 0.0000082655
beta = 0.0000000000,b_cons_y = -0.0000901396

atom-type 2,l_relax=F,l_magn=F,M= 0.00103,magtype=
alpha = 0.0000000000,b_cons_x = 0.0001686704
beta = 0.0000000000,b_cons_y = 0.0001473702

atom-type 3,l_relax=F,l_magn=F,M= 0.00051,magtype=
alpha = 0.0000000000,b_cons_x = -0.0011722689
beta = 0.3839724354,b_cons_y = -0.0000168408

atom-type 4,l_relax=F,l_magn=F,M= 0.00103,magtype=
alpha = 0.0000000000,b_cons_x = 0.0011701767
beta = -0.3839724354,b_cons_y = -0.0000065209

atom-type 5,l_relax=F,l_magn=F,M= 0.00103,magtype=
alpha = 0.0000000000,b_cons_x = 0.0000558376
beta = 0.0000000000,b_cons_y = -0.0003330910

atom-type 6,l_relax=F,l_magn=F,M= 0.00103,magtype=
alpha = 0.0000000000,b_cons_x = -0.0001389506
beta = 0.0000000000,b_cons_y = 0.0003567617

-- logical parameters --
l_ss=F,l_mperp=T,l_constr=T,l_disp=F,sso_opt=FFF
mix_b= 0.500,thetaJ= -0.0000000001,nsh= 0


Any suggestion will be very helpful.
Thanks

Dear experts,
I am trying to solve the field constrained to zero on moments.
As the manual said, "Constraining the magnetization to the direction of specified SQA" to deal with output magnetization direction. following changes are made in inp.xml file calculationsSetup/mtNocoParams/@l_mprep=T && calculationsSetup/mtNocoParams/@l_constrained =T.
and changing beta in atomGroup/nocoPrams/beta="0.38"

What I am expecting is that after successful iteration, b_const_x and b_const_y is printing in inp.xml.
unfortunately, it is not printing anything after iteration, though density is converging. I am wondering if there is something that i am missing.

Kindly need some suggestion here.

In a constrained local moment calculation b_cons_x and b_cons_y are determined self-consistently.
What is minimized is the perpendicuar magnetic moment in the local spin-frame (mx, my in the out-file of v26).
Please have a look at
https://journals.aps.org/prb/abstract/10...sRevB.69.024415
for a description.