# Silicon diatomic molecule for test calculations
# Exp bond=4.244 bohr; freq=511 cm^-1 (?)
# Binggeli reports that large box (18 on side) needed to get physical answers.
 acell 12 8 8
 diemac 1.0d0
 diemix 0.333333333333d0
 ecut 7.0
 enunit 2
 intxc 1
 irdwfk  1
 isecur -2
 kptopt 0
 kpt   3*0
 natom  2 nband 5 3
 nkpt 1
 nsppol 2
 nstep 50
 nsym 1
 ntypat  1
 occ 8*1
 occopt 2
 rprim 1 0 0  0 1 0  0 0 1
 tolwfr 1.0d-12
 typat  2*1 
 wtk  1
 xcart -2.122 0 0 2.122 0 0
 znucl  14.0

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% input_prefix = t17o 
#%% test_chain = t17.in, t19.in, t20.in, t21.in, t23.in
#%% [files]
#%% files_to_test = 
#%%   t19.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Re-run 17 but in slightly larger box, same ecut, larger ng.
#%%   (Box is still too small for proper model of Si2.)
#%%<END TEST_INFO>