For your convenience, the input files of examples shown in the manual are available in the directory 'work' as listed below:
Molecules or clusters
C60.dat SCF calc. of a C60 molecule
C60_DC.dat DC calc. of a C60 molecule
CG15c_DC.dat DC calc. of DNA
Cr2_CNC.dat Constrained DFT calc. of a Cr2 dimer
Doped_NT.dat SCF calc. of doped carbon nanotube
Fe2.dat SCF calc. of a Fe2 dimer
Gly_NH.dat Nose-Hoover MD of a glycine molecule
Gly_VS.dat Velocity scaling MD of a glycine molecule
H2O.dat Geometry opt. of a water molecule
MCCN.dat DC calc. of a a multiply connected carbon nanotube
Methane2.dat Geometry opt. of a distorted methane molecule
Methane.dat SCF calc. of a methane molecule
Methane_OO.dat Orbital optimization of a methane molecule
Mn12.dat SCF calc. of a single molecular magnet, Mn12
Mol_MnO_NC.dat Non-collinear SCF calc. of a MnO molecule
Nitro_Benzene.dat SCF calc. of a nitro benzene molecule under E-field
Pt13.dat SCF calc. of a Pt13 cluster
Pt63.dat SCF calc. of a Pt63 cluster
SialicAcid.dat SCF calc. of a sialic acid molecule
Valorphin_DC.dat DC calc. of valorphin molecule
Bulk
Cdia.dat SCF calc. of bulk diamond
MnO_NC.dat Non-collinear SCF calc. of bulk MnO
FeO_NC.dat Non-collinear SCF calc. of bulk FeO
CoO_NC.dat Non-collinear SCF calc. of bulk CoO
NiO_NC.dat Non-collinear SCF calc. of bulk NiO
Crys-NiO.dat SCF calc. of bulk NiO
DIA64_Band.dat SCF calc. of bulk diamond including 64 atoms
DIA8_DC.dat DC calc. of bulk diamond including 8 atoms
DIA64_DC.dat DC calc. of bulk diamond including 64 atoms
DIA216_DC.dat DC calc. of bulk diamond including 216 atoms
DIA512_DC.dat DC calc. of bulk diamond including 512 atoms
DIA512-1.dat Krylov O(N) calc. of bulk diamond including 512 atoms
Febcc2.dat SCF calc. of bcc Fe
GaAs.dat Non-collinear calc. of bulk gallium arsenide
NaCl.dat SCF calc. of bulk NaCl
NaCl_FC.dat SCF calc. of bulk NaCl with a Cl-site vacancy
Si8.dat Geometry opt. of distorted Si bulk