# compute Chern number and orbital magnetization for 3 values of nuclear dipole: 0, +1, -1
# see test v7[32] for discussion of nuclear dipole 

ndtset 3

# compute GS without dipoles
nstep1 30
prtwf1 1
getwfk1 0
nucdipmom1
0.0 0.0 0.0
0.0 0.0 0.0

nucdipmom2
0.0 0.0 0.0
0.0 0.0 100.0

nucdipmom3
0.0 0.0 0.0
0.0 0.0 -100.0

# dipole calcs converge almost instantly from the ground state
nstep 1
getwfk 1

kptopt 3
nsym 1
symrel 1 0 0 0 1 0 0 0 1

orbmag 3 # activates Chern number and orbital magnetization


optforces 0
optstress 0
pawcpxocc 2

usexcnhat 0

ngkpt 3*4
nshiftk 4
shiftk
1/2 1/2 1/2
1/2 0 0
0 1/2 0
0 0 1/2

paral_atom 0
paral_kgb 0

ecut 5
pawecutdg 6

toldfe 1.0D-8

nband 4

symmorphi 0

prtwf 0
prtden 0
prteig 0

acell    3*10.620260682  

rprim    0.000000000000000   0.500000000000000   0.500000000000000 
         0.500000000000000   0.000000000000000   0.500000000000000 
         0.500000000000000   0.500000000000000   0.000000000000000 
       
natom    2  
ntypat   2  
typat    1 2  
znucl    33 13  
xred     0.250000000000000   0.250000000000000   0.250000000000000 
         0.000000000000000   0.000000000000000   0.000000000000000 

 pp_dirpath "$ABI_PSPDIR"
 pseudos "As.GGA-PBE-rpaw-2.10.abinit, Al.GGA-PBE-rpaw-2.00.abinit"
      
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test =
#%%   t39.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = J. Zwanziger
#%% keywords = PAW
#%% description = Test Chern number and orbital magnetization calculation
#%% topics = MagField
#%%<END TEST_INFO>