Examples

For user's convenience, input files for three examples can be found in the directory 'work' as follows:

• C2H2.dat, C2H2-CH.dat

  Calculation of the absolute binding energy of 1s state on C atom in a gaseous C$_2$H$_2$ molecule.

• TiC216.dat, TiC216-CH3.dat

  Calculation of the absolute binding energy of 1s state on C atom in metallic TiC216 bulk.

• Si-4-SOI.dat, Si-4-CH-SOI1.dat, Si-4-CH-SOI6.dat

  Calculation of the absolute binding energies of $2p_{3/2}$ and $2p_{1/2}$ state on Si atom in Si bulk.

The other examples of calculations and input files used for the calculations can be found in the website: https://t-ozaki.issp.u-tokyo.ac.jp/vps_pao_core2019/.