ABINIT Discussion Forums

Dear all
For Ferromagnetic moment calculation I changed the "tldau_1.in" given in tutorial input as follows.
#Spin
nsppol 2
#nspden 2
#nspinor 1
spinat 0 0 1
0 0 1
0 0 0
0 0 0

#Parameters
nstep 50
ecut 15
pawecutdg 30
iscf 17
toldfe 1.0d-5
nband 40
occopt 1
########################for rough approximation of the local magnetic moment
prtdensph 1
ratsph 2.310800318100 1.414652302800
chkprim 0
#########################
#Structural parameters
natom 4
ntypat 2
typat 1 1 2 2
znucl 28 8
xred 0 0 0
0.0 0.0 0.5
0.5 0.5 0.25
0.5 0.5 0.75

acell 3*7.92

rprim 0.0 1/2 1/2
1/2 0.0 1/2
1.0 1.0 0.0

# Kpoint Grid
ngkpt 2 2 2
chksymbreak 0 # The k point grid is not symmetric, but the calculations being for the ground-state, this is not a problem.
# add to conserve old < 6.7.2 behavior for calculating forces at each SCF step
optforces 1

However I got the result as:
Integrated total density in atomic spheres:
-------------------------------------------
Atom Sphere radius Integrated_up_density Integrated_dn_density Total(up+dn) Diff(up-dn)
1 2.31080 4.51296653 4.51287926 9.02584580 0.00008727
2 2.31080 4.51296653 4.51287926 9.02584580 0.00008727
3 1.41465 2.23290956 2.23306030 4.46596985 -0.00015074
4 1.41465 2.23290956 2.23306030 4.46596985 -0.00015074
Note: Diff(up-dn) can be considered as a rough approximation of a local magnetic moment.

I am wondering why Magnetic moment is almost zero! Did I make any mistake in the input? Thank you!

Hello everyone!
I still could not solve the problem. Could you please help me resolve this issue? Thank you

Hello everyone
Is this the bug present in abinit?