ecut 12
ngkpt 2 2 2

prt1dm 1
prtpot 1
prtvol 2

ndtset 7

magcon_lambda 0.05
ratsm 0.05

nspinor 2 nspden 4
so_psp 0

getwfk -1

# DS 1 : no constraint
magconon1 0
spinat1 0 0 3

# DS 2 constrained direction, non collinear spin
magconon2 1
spinat2 0 0 3

# DS 3 constrained direction y, start from different spin wf (DS 2 along z), non collinear spin
magconon3 1
spinat3 0 3 0
toldfe3 1.e-14
prtvol3 1   # Turn off printing of minimum magnetization location, because not portable
nstep3 52

# DS 4 constrained direction and amplitude, non collinear spin
magconon4 2
magcon_lambda4 0.01
spinat4 0 1.5 0 
toldfe4 1.e-14
prtvol4 1   # Turn off printing of minimum magnetization location, because not portable
nstep4 10

# DS 5 : no constraint, collinear spin
magconon5 0
spinat5 0 0 3
nspinor5 1
nspden5 2
nsppol5 2
getwfk5 0
nband5 6

# DS 6 constrained direction, collinear spin
magconon6 1
spinat6 0 0 3
nspinor6 1 
nspden6 2 
nsppol6 2 
getwfk6 0
nband6 6
nstep6 24

# DS 7 constrained direction and amplitude, collinear spin
magconon7 2
spinat7 0 0 3
nspinor7 1 
nspden7 2 
nsppol7 2 
getwfk7 0
nband7 6
nstep7 18

nband 14
occopt 7
tsmear 0.01

toldfe 1.e-10
nstep 40

acell 3*5.328

kptopt 4
shiftk 0 0 0
znucl 26
ntypat 1
typat 1
natom 1
xred 0 0 0
rprim
-0.5  0.5  0.5
 0.5 -0.5  0.5
 0.5  0.5 -0.5

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/26fe.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t05.out,      tolnlines = 46, tolabs = 1.1e+1, tolrel = 1.1e+0, fld_options = -easy
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = M. Verstraete
#%% keywords = magnetic_constraint
#%% description = Test magnetic constraint code. Variables magconon and magcon_lambda. BCC iron with low cutoff
#%%   and kpts, non collinear spin case with nspden=4 imposed. First normal case then constrain direction only
#%%   along z (DS2), along y (DS3) and impose value of vector (DS4). Then work in the collinear case, unconstrained (DS5),
#%%   with constrained direction (DS6), and constrained direction and value (DS7).
#%%   Total energy in DS1, DS2, DS3 and DS5 are identical (good). Should be also identical in DS6 , but not the case at present.
#%%   Also, the results for DS3 are NOT really portable, hence the very large tolerances.
#%%   Revised by XG
#%% topics = spinpolarisation, MagMom
#%%<END TEST_INFO>