# 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.
# Allow relaxation.

 acell 12 8 8
 diemac 1.0d0
 diemix 0.333333333333d0
 ecut 7.0
 enunit 2
 intxc  1
 ionmov 2   
 densfor_pred 1
 irdwfk  1
 kptopt 0
 kpt   3*0
 natom  2 nband 5 3
 nkpt 1
 nline 3    
 nsppol 2
 nstep 20
 nsym 1
 ntime 8  
 ntypat  1
 occ 8*1
 occopt 2
 prtvol 10
 rprim 1 0 0  0 1 0  0 0 1
 tolmxf 1.0d-4
 tolwfr 1.0d-13
 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 = t19o
#%% test_chain = t17.in, t19.in, t20.in, t21.in, t23.in
#%% [files]
#%% files_to_test = 
#%%   t20.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = Unknown
#%% references = 
#%% keywords = 
#%% description = 
#%%   Conduct relaxation of molecule starting from wf.19, using ionmov=2. (Broyden method).
#%%<END TEST_INFO>