# 8-atom Si cube, low ecut, k=(111)/4 (no symm) for relaxation tests.
# One atom displaced from the equilibrium position.
# Forces are completely nutty with k=0

 acell 3*10.26311d0
 diemac 12.0d0
 ecut 2.99
 enunit 2
 kptopt 0
 iscf 3    kpt   1 1 1 -1 1 1 1 -1 1 1 1 -1 kptnrm 4
 natom  8 nband 16
 nkpt  4
 nstep 15
 nsym 1
 ntime  6   ntypat  1
 occ 16*2.0d0 occopt  0
 prtden 1
 rprim   1 0 0 0 1 0 0 0 1
 tolwfr 1.0d-14
 typat  8*1
 wtk   4*1
   xred        .001000000000       .000000000000       .000000000000
               .250000000000       .250000000000       .250000000000
               .000000000000       .500000000000       .500000000000
               .250000000000       .750000000000       .750000000000
               .500000000000       .000000000000       .500000000000
               .750000000000       .250000000000       .750000000000
               .500000000000       .500000000000       .000000000000
               .750000000000       .750000000000       .250000000000
 znucl 14

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/14si.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = t40.in, t41.in
#%% [files]
#%% files_to_test = t40.out, tolnlines=  1, tolabs=  1.000e-02, tolrel=  6.201e-05
#%% [shell]
#%% post_commands = ww_mv t40o_DEN t41_DEN
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC
#%% description = 
#%%  8-atom Si cube with one atom displaced from the equilibrium
#%%  position, to set up DEN file for next test.
#%%<END TEST_INFO>