next up previous
Next: Description of the data Up: users_guide Previous: Description of the command

Examples of input command cards

  1. $ ^2$S ground state of the Th$ ^{+89}$ one-electron system.

    ../examples/th89/th89_1s.data

  2. First excited $ ^2$S state of the Th$ ^{+89}$ one-electron system. ../examples/th89/th89_2s.data

  3. Hartree-Fock ground state of the beryllium atom.

    ../examples/be/be.data

  4. Hartree-Fock ground state energy of the hydrogen molecule.

    ../examples/h2/h2.data

  5. Hartree-Fock ground state of the BF molecule.

    ../examples/bf/bf_g94.data

  6. HF calculations for the lowest $ ^3P$ state of the carbon atom.

    ../examples/c/c.data

  7. HF calculations for the lowest $ ^2P$ state of the $ C^+$ ion.

    ../examples/c/cplus.data

  8. HF calculations for the lowest state of the $ C_2$ molecule.

    ../examples/c2/c2a.data


    ../examples/c2/c2b.data

  9. HF calculations for the lowest state of the $ N_2$ molecule.

    ../examples/n2/n2.data

  10. HF calculations for the lowest state of the $ F_2$ molecule.

    ../examples/f2/f2.data



Jacek Kobus 2003-01-17