1. Pseudopotentials & TDDFT calculation
UNIST
Dongbin Shin

2. Why pseudopotentials?
To minimize the size of plane wave basis : valence state are smoother than core state, pseudized valence wave function are nodeless
To reduce number of electron in system

3. Generating Pseudopotential

4. Norm-conserving pseudopotentials

5. Pseudopotential - Local Part

6. Separable Kleinman-Bylander form for NLpp

7. Separable Kleinman-Bylander form for NLpp

8. Ultrasoft pseudopotentials

9. ylmr2.f90
Spherical harmonics

10. Initial pseudopotential
init_us_1.f90
Initial pseudopotential

11. init_us_2.f90
Beta term in G space

12. realus.f90
Beta term in real space

13. Solve nonlocal potentials
add_vuspsi.f90
Solve nonlocal potentials

14. Suzuki-Trotter type split-operator

15. TD-DFT pseudopotential theory