Examples for HONPAS:

1.Band Structure and DOS(Density of States) of Si2

a. Calculated by Honpas with given orbit

Si input file.(psf, fdf)

b. Automatic fitting with siesta 4.1

Si 4.1 input file.(psf, fdf)

c. Compare

2.Band Structure and DOS(Density of States) of TiO2

a. Calculated by Honpas with given orbit

TiO2 input file.(psf, fdf)

b. Automatic fitting with siesta 4.1

TiO2 4.1 input file.(psf, fdf)

c. Compare