# (HeH)+ system. acell much too small, ecut also. Excited state computation, using
# ground-state potential Fermi-Amaldi (=xOEP for 2 electron systems),
# and either xOEP kernel (ixc=20), LDA kernel (ixc=21) or
# BPG hybrid kernel (ixc=22)

 prtvol   2

 ndtset    4

    ixc1   20
  nband1   1
 prtden1   1
 tolwfr1   1.0d-22

   iscf2  -1
    ixc2   20
  nband2   20
 getden2   1
 getwfk2   1

   iscf3  -1
    ixc3   21
  nband3   20
 getden3   1
 getwfk3   2

   iscf4  -1
    ixc4   22
  nband4   20
 getden4   1
 getwfk4   2

#Common
 kptopt 0
 nkpt  1    kptnrm  4
     kpt  0 0 0
     wtk  1

 acell 3*10
 boxcenter 3*0.0d0
 charge 1.0d0
 diemac 1.0d0   diemix 0.5d0
 ecut 9

 natom  2
 nbdbuf 0

 nstep 30
 nsym 6  ntypat  2
 occopt 1
 rprim 1 0 0  0 1 0  0 0 1
 symrel 1  0  0    0  1  0     0  0  1
        0  1  0    1  0  0     0  0  1
        1  0  0    0  0  1     0  1  0
        0  0  1    0  1  0     1  0  0
        0  1  0    0  0  1     1  0  0
        0  0  1    1  0  0     0  1  0
 tnons 18*0.0d0
 tolwfr 1.0d-9
 typat  1 2
 xcart    3*0.0       3*1.1547006  # dist=2
 znucl  2 1

## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t42.out, tolnlines = 2, tolabs = 1.100e-05, tolrel = 1.100e-03, fld_options = -medium
#%% psp_files = 2he.psphgh, 1h.psphgh
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   (HeH)+ in a big box. Computation of excitation energies in TDDFT,
#%%   in the following approximations : TDxOEP/xOEP, TDLDA/xOEP,
#%%   BPG hybrid/xOEP.
#%% topics = TDDFT
#%%<END TEST_INFO>
