前半 (4/4-5/30)
The first part of the lecture will cover the following topics:
(a) Density functional theory
(b) Kohn-Sham (KS) method
(c) Pseudopotential theory
(d) Basis functions, self-consistent field, and Implementation of the KS method
(e) Atomic force and stress
(f) Electronic excitation
(g) Hand-on of OpenMX software
後半 (6/6-7/14)
(a) June 6 Introduction to ab initio simulation in VASP
(b) June 13 Hands on: Atoms and molecules, bulk systems
(c) June 20 Introduction to molecular dynamics
(d) June 27 Hands on: molecular dynamics
(e) July 4 Linear response, GW
(f) July 11 Hands on: linear response, GW
First half (April 4 to May 30)
The first part of the lecture will cover the following topics:
(a) Density functional theory
(b) Kohn-Sham (KS) method
(c) Pseudopotential theory
(d) Implementation of the KS method
(e) Atomic force and stress
(f) Electronic excitation
(g) Hand-on of OpenMX software
Latter half(June 6 -July 11)
(a) June 6 Introduction to ab initio simulation in VASP
(b) June 13 Hands on: Atoms and molecules, bulk systems
(c) June 20 Introduction to molecular dynamics
(d) June 27 Hands on: molecular dynamics
(e) July 4 Linear response, GW
(f) July 11 Hands on: linear response, GW