# He atom with Hartree-Fock

ndtset 2

ixc1 11

# Second dataset : Hartree-Fock
ixc2 40
toldfe2 1.0d-10
getwfk2 -1
fockoptmix2 601
nstep2 40
nnsclohf2 6
iscf 7


# Common data
acell 3*25
diemac 1.0d0
diemix 0.5d0

ecut 4 

ngkpt 1 1 1
shiftk 3*0.0
natom 1
nband 1
nkpt 1
nstep 20
ntypat 1
tolwfr 1.0d-16
typat 1
wtk 1 znucl 2
xred 3*0



 pp_dirpath "$ABI_PSPDIR"
 pseudos "02he.fakesmooth"
## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = t73.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = NC
#%% authors = X. Gonze
#%% description = 
#%%   Helium atom in a box. NC, only local potential (too smooth to reproduce experiment).
#%%   Simple system for testing Hartree-Fock and the SCF algorithms. Start from PBE. 
#%% topics = xc
#%%<END TEST_INFO>