# 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 10 6 6
 ecut 7.0
 enunit 2
 intxc  1
 irdwfk  1
 iscf -2
 kptopt 0
 kpt   3*0  .5 0 0
 natom  2 nband 8 8 8 8   nbdbuf 0
 nkpt 2
 nline 8   nsppol 2
 nstep 50
 nsym 1
 ntime 10 ntypat  1
 occopt 2
 prtvol  10
 rprim 1 0 0  0 1 0  0 0 1
 timopt  -1
 tolwfr 1.0d-10
 typat  2*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
#%% test_chain = t17.in, t19.in, t20.in, t21.in, t23.in
#%% [files]
#%% files_to_test = 
#%%   t23.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   23. Compute a few unoccupied state eigenvalues for case 17, at two
#%%   k points. 
#%%   Also checks reading of a density file (t17o_DEN) which was created with
#%%   a different number of k points (perfectly ok).
#%%   (Shows inadequacy of this box for Si2 molecule--note enormous
#%%   dispersion in eigenvalues from k=0 to BZ boundary.)
#%%<END TEST_INFO>