# To generate and hybridize hydrogenic orbitals using hybridize.f90
# 
orb_type_num  9

orb_types

 Ti3s  Ti3px Ti3py Ti3pz Ti3dz2  Ti3dx2-y2 Ti3dxy Ti3dyz Ti3dzx

# in xxxpy..  field 4 onwards are obital specifier

read_basis no # this is mandatorily no for thos step

#==============================================
# To generate pseudo-atomic orbitals(psAO)  from KS-HAOs following the hydrogenic HAOs using pure.f90
 
hybrid_dir "."

hao_dir  "."

hao_num 9

#==========================================
# To hybridize a group of psAOs using hybridize.f90

#orb_type_num  6 #(this can be any number less or equal to 9)

#read_basis yes #( mandatorily to be set to yes for this step)

#orb_file_name #(file name generated in previous step)
#pure_1.dat pure_2.dat  pure_3.dat pure_4.dat  pure_5.dat   pure_6.dat