# N2 system.
# Excited state computation, using LDA/TDLDA
# Uses nsppol=2, although the molecule is not spin-polarized

 ndtset  2

#DATASET 1  SCF
  nband1   5
 prtden1   1
 getden1   0
 getwfk1   0
 tolwfr1   1.0d-15

#DATASET 2 TDDFT
#Common to all except GS calculations
 nband2    12
prtden2    0
getden2    1
getwfk2    1
tolwfr2    1.0d-9
  iscf2   -1

#Common
 acell 6  5  5.001 Angstrom
 boxcenter 3*0.0d0
 diemac 1.0d0   diemix 0.5d0
 ecut 25
 ixc 1
 nsppol 2    spinmagntarget 0.0d0

  kptopt 0
 natom  2
 nbdbuf 0

 nstep 25
 ntypat  1
 typat  1 1
 xcart -0.54885  0 0  0.54885 0 0 Angstrom   ! Distance 1.0977 Angstrom
 znucl  7


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosHGH_pwteter/7n.5.hgh"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t61.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   N2 molecule non-spin-polarized, but treated with nsppol=2, in a big box.
#%%   Similar to test 55 of tests/v3. There should be only
#%%   small numerical differences with respect to datasets 1 and 2 of this test,
#%%   due to the fact that the tetragonal symmetry was here slightly broken
#%%   for sake of portability of the automatic test.
#%%   Note however that the singlet and triplet states cannot be disentagled,
#%%   so one gets a big list of excitations, the merge of singlet and triplet
#%%   excitations.
#%% topics = TDDFT
#%%<END TEST_INFO>