# single Mg atom, test of fftalg and istwfk
# Test many combinations, using the double-loop multi-dataset mode

ndtset 63   udtset 7 9

 kptopt 0

kpt1?  0.5 0.0 0.0
kpt2?  0.0 0.0 0.5
kpt3?  0.5 0.0 0.5
kpt4?  0.0 0.5 0.0
kpt5?  0.5 0.5 0.0
kpt6?  0.0 0.5 0.5
kpt7?  0.5 0.5 0.5

getwfk?:  0    getwfk?+ -1

 fftalg?1  112    istwfk?1  0
 fftalg?2  112    istwfk?2  1
 fftalg?3  111    istwfk?3  1
 fftalg?4  111    istwfk?4  0
 fftalg?5  110    istwfk?5  0
 fftalg?6  110    istwfk?6  1
 fftalg?7  100    istwfk?7  1
 fftalg?8  112    istwfk?8  0   nstep?8  0
 fftalg?9  112    istwfk?9  1   nstep?9  0

# Common input variables
acell 3*10
diemac 1.0d0
diemix 1.0d0
ecut 2
intxc 1

natom 1
nband 1
nkpt 1
nline 3
nstep 20
nsym 1
ntypat 1
occopt 1
rprim 1 0 0 0 1 0 0 0 1
tolwfr 1.0d-14
typat 1
xred 0.1  0.15  0.2
wtk 1 znucl 12


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/12mg.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t89.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = NC
#%% authors = Unknown
#%% description = 
#%%   Mg atom, in a big box, displaced from the center,
#%%   test different k points with time-reversal symmetry, and different fftalg values.
#%%<END TEST_INFO>