text: # CH system, PBE0 and HSE06, interatomic distance optimization
  
   ndtset    3  
  
  #DATASET 1  PBE (the pseudopotentials for C and H are with PBE XC)
  
  #DATASET 2 PBE0
   ixc2    41
   getwfk2   1
   getxred2  1
  
  #DATASET 3 HSE06
   ixc3    -428
   getwfk3   2
   getxred3  2
  
  #Common
   acell 5  2*4 Angstrom
   diemac 1.0d0   diemix 0.5d0
   ecut 13  
   ionmov 2
   ntime 15 
   tolrff 0.02
   tolmxf 5.0d-5
  
   kptopt 1
   ngkpt 1 1 1
   shiftk 3*0.0
   istwfk 1
   natom  2
   nsppol 2
   spinmagntarget 1
   nband 4
   nbdbuf 0
  
   nstep 25  
   ntypat  2
   typat  1 2
   xcart -0.562   0 0  0.562  0 0 Angstrom   
   znucl  6 1
  
  #%%<BEGIN TEST_INFO>
  #%% [setup]
  #%% executable = abinit
  #%% [files]
  #%% files_to_test = 
  #%%   t68.out, tolnlines = 35, tolabs = 3.000e-03, tolrel = 1.500e-01, fld_options = -easy
  #%% psp_files = C.psp8, H.psp8
  #%% [paral_info]
  #%% max_nprocs = 1
  #%% [extra_info]
  #%% authors = X. Gonze
  #%% keywords = 
  #%% description = 
  #%%   CH molecule spin-polarized, in a big box.
  #%%   Norm conserving : first PBE, then PBE0, then HSE06. Interatomic distance optimization.
  #%%   Test the geometry convergence in the hybrid functional case
  #%%   The results obtained with underconverged ecut (ecut 15) and box size (4 3 3 Angstrom)
  #%%   compare favourably with those mentioned in Arnardi's report, as well as with those of VASP.
  #%%   Values for the distance d, in Angstrom, for PBE, PBE0 and HSE06 respectively :
  #%%   Present calculation  (ecut 13, 5 4 4 box) : 1.138, 1.130, 1.131 Angstrom
  #%%   Better  calculation  (ecut 18, 7 6 6 box) : 1.135, 1.124, 1.125 Angstrom
  #%%   ABINIT Arnardi report (ecut acell unknown): 1.136, 1.124, 1.124 Angstrom
  #%%   VASP Arnardi report (ecut acell unknown)  : 1.136, 1.124,  NA   Angstrom
  #%%   Experimental : 1.120 Angstrom.
  #%% topics = Hybrids
  #%%<END TEST_INFO>
  