ndtset 2

#1st dataset: generate GGA-PBE wave functions
ixc1 -101130   nstep1 5   prtwf1 1

#2nd dataset: Tran-Blaha mGGA
ixc2 -012208   usekden2 1   getwfk2 -1


# Definition of the k-point grid
ngkpt    4 4 4
nshiftk 4
shiftk  0.5 0.5 0.5
        0.5 0.0 0.0
        0.0 0.5 0.0
        0.0 0.0 0.5
tolwfr  1.0d-10


# Definition of the planewave basis set
ecut 20

# Definition of the unit cell: fcc
acell 3*3.5670/0.529177
rprim  0.0  0.5  0.5
       0.5  0.0  0.5   
       0.5  0.5  0.0

# Definition of the atom types
ntypat  1
znucl  6

# Definition of the atoms
natom 2
typat  1 1     
xred # Reduced coordinate of atoms
       0.0   0.0   0.0
       0.25  0.25  0.25


 pp_dirpath "$ABI_PSPDIR"
 pseudos "6-C.fhi"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t09.abo, tolnlines = 1, tolabs = 1.1e-6, tolrel = 4.0e-4, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 10
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Diamond. Test the mGGA functional from Tran and Blaha (correction to Becke-Johnson).
#%%   To make the test more portable, we generate GGA-PBE wave functions as starting point.
#%%<END TEST_INFO>