ABINIT tutorial. All files...

This document lists the lessons of the tutorial of the ABINIT package.
Copyright (C) 2000-2017 ABINIT group (XG)

Alphabetical list of all files.

A.
analysis_tools [Lesson on analysis tools - How to use the program cut3d.]

B.
base1 [First (basic) lesson - The H2 molecule, without convergence studies.]
base2 [Second (basic) lesson - The H2 molecule, with convergence studies.]
base3 [Third (basic) lesson - Crystalline silicon.]
base4 [Fourth (basic) lesson - Aluminum, the bulk and the surface.]
basepar [Lesson on basic parallelism - Parallelism in ABINIT, generalities and environments.]
bse [Lesson on Bethe-Salpeter calculations - Absorption spectra including excitonic effects.]

C.

D.
dftu [Lesson on DFT+U - The projected density of states of NiO.]
dmft [Lesson on DFT+DMFT - A DFT+DMFT calculation for SrVO3.]

E.
elastic [Lesson on elastic properties - Elastic and piezoelectric properties.]
eph [Electron-phonon lesson - Electron-Phonon interaction and superconducting properties of Al.]

F.
ffield [Lesson on polarization and finite electric fields - Polarization, and responses to finite electric fields for AlAs.]
fold2bloch [Lesson on fold2bloch - Unfolding the electronic structure of a lattice of Hydrogen atoms.]

G.
gw1 [First lesson on GW - The quasi-particle band structure of Silicon, in the GW approximation.]
gw2 [Second lesson on GW - Treatment of metals.]

H.

I.

J.

K.

L.

M.

N.
nlo [Lesson on static non-linear properties - Electronic non-linear susceptibility, non-resonant Raman tensor, electro-optic effect.]
nuc [Lesson on properties at the nuclei - Observables near the atomic nuclei.]

O.
optic [Lesson on optical properties - Frequency-dependent linear and second order nonlinear optical response.]

P.
paral_dfpt [Parallelism in the DFPT formalism - Atomic displacements, homogeneous electric fields, strain.]
paral_gspw [Parallelism for the ground state - Explore the various features of the KGB parallelization scheme]
paral_gswvl [Parallelism for the ground state using wavelets - Boron cluster, alkane molecule...]
paral_images [Parallelism on images, the string method - String method for the computation of minimum energy paths, in parallel.]
paral_mbt [Parallelism for many-body calculations - G0W0 corrections in α-quartz SiO2.]
paral_moldyn [Parallelism for molecular dynamics - How to perform Molecular Dynamics calculations using parallelism]
paw1 [First lesson on the projector-augmented wave (PAW) technique - Projector Augmented-Wave technique, how to use it ?]
paw2 [Second lesson on the projector-augmented wave (PAW) technique - The generation of atomic data.]
paw3 [Third lesson on the projector-augmented wave (PAW) technique - Testing PAW datasets against an all-electron code]
positron [Electron-positron annihilation - Calculation of positron lifetime and momentum distribution in Si]

Q.

R.
rf1 [First lesson on DFPT - Dynamical and dielectric properties of AlAs.]
rf2 [Second lesson on DFPT - Phonon band structures, thermodynamical properties.]

S.
source_code [Developing for ABINIT - Introducing ABINIT to new developers (WARNING : some parts are severely outdated ...).]
spin [Lesson about the spin - Properties related to spin (spin polarized calculations, ferro- ferri- magnetic materials, and spin-orbit coupling).]

T.
tddft [Lesson on TDDFT - Time-Dependent Density Functional Theory, Casida's approach.]
tdepes [Lesson TDepES - Temperature-DEPendence of the Electronic Structure.]

U.
ucalc_crpa [Calculation of U and J using cRPA - Using the constrained RPA to compute the U and J in the case of SrVO3.]
udet [Calculation of U and J using Cococcioni's approach - How to determine U for DFT+U in ABINIT ? Cococcioni's approach.]

V.

W.
wannier90 [Lesson on the use of Wannier90 library - The Wannier90 interface tutorial.]
welcome [Welcome - Overview of the ABINIT tutorial.]