# white tin (body centered tetragonal), optcell 2 run to make
# sure that symmetry is not broken as cell is deformed

ndtset 2

strprecon1 1.0 # test also two values of strprecon
strprecon2 0.5

ntime 5
nstep 6
ionmov 2
optcell 2
ecutsm 0.5
dilatmx 1.1
tolmxf 2.0D-7
tolvrs 1.0D-12

ecut 9
pawecutdg 12

prtwf 0
prtden 0
prteig 0

occopt 7
tsmear 0.001

acell 5.94 5.94 3.20 angstrom
spgroup 141
brvltt -1

kptopt 1
kptrlatt 0   3   3
        -3   0  -3
        -4  -4   0

znucl 50
ntypat 1
typat 1

natom 2
natrd 1
xred
0 0 0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "50sn.paw"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t77.out, tolnlines = 5, tolabs = 1.210e-04, tolrel = 1.100e-03, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 8
#%% [extra_info]
#%% authors = J. Zwanziger
#%% keywords = PAW
#%% description = 
#%%   White tin, body-centered tetragonal. This test checks that in an optcell 2 run, the symmetry
#%%   of the body-centered case is not broken. This test is run for two values of strprecon also,
#%%   to test the strprecon variable.
#%%   Coded and contributed by J. Zwanziger.
#%% topics = GeoOpt, UnitCell, SmartSymm
#%%<END TEST_INFO>