####################################################
# Atoms Stucture created by CellToAbinit Converter !
####################################################

# Definition of the unit cell
#The length of the primitive vectors 
#                    1 Bohr=0.5291772108 Angstroms 
# acell 11.498000 3.545000 4.345000 Angstroms

ndtset 4

#acell 21.75453 6.73498 8.25432
acell    2.1951881203E+01  6.7960779141E+00  8.3292009550E+00 Bohr

rprim 
    1.000000  0.000000  0.000000
    0.000000  1.000000  0.000000
    0.000000  0.000000  1.000000

#Definition of the atom types
#      14 kind of atoms
#       ['O', 'V']
ntypat 2 
znucl  8 23

#Definition of tha atoms
natom  14
typat  1 1 1 1 1 1 1 1 1 1 2 2 2 2 
#xred
#     0.1043     0.25   0.531
#     0.3957     0.25   0.531
#     0.8957     0.75   0.469
#     0.6043     0.75   0.469
#     0.9311     0.25   0.003
#     0.5689     0.25   0.003
#     0.0689     0.75   0.997
#     0.4311     0.75   0.997
#     0.25       0.25   0.001
#     0.75       0.75   0.999
#     0.10118    0.25   0.8917
#     0.39882    0.25   0.8917
#     0.89882    0.75   0.1083
#     0.60118    0.75   0.1083
 xred    1.1289399161E-01  2.5000000000E-01  4.6076081641E-01
         3.8710600839E-01  2.5000000000E-01  4.6076081641E-01
         8.8710600839E-01  7.5000000000E-01  5.3923918359E-01
         6.1289399161E-01  7.5000000000E-01  5.3923918359E-01
         9.1555623285E-01  2.5000000000E-01  1.8360716688E-02
         5.8444376715E-01  2.5000000000E-01  1.8360716688E-02
         8.4443767153E-02  7.5000000000E-01  9.8163928331E-01
         4.1555623285E-01  7.5000000000E-01  9.8163928331E-01
         2.5000000000E-01  2.5000000000E-01  1.2552804496E-02
         7.5000000000E-01  7.5000000000E-01  9.8744719550E-01
         1.0767535156E-01  2.5000000000E-01  8.5375558245E-01
         3.9232464844E-01  2.5000000000E-01  8.5375558245E-01
         8.9232464844E-01  7.5000000000E-01  1.4624441755E-01
         6.0767535156E-01  7.5000000000E-01  1.4624441755E-01


##### End of CellToAbinit Conveter ! #####

# Kpoints
kptopt 1
ngkpt1 3 3 3
ngkpt2 4 4 4
ngkpt3 5 5 5
ngkpt4 6 6 6


ecut 10

nstep 100
toldfe 1.0d-6

diemac 8.0

#Use GGA functional
ixc 11