ABINIT School 2019

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Course and Hands-on session material

Presentations

Introduction to the ABINIT project - François Jollet

Installing ABINIT - Marc Torrent

Introduction to plane-wave based DFT - part 1  - Bernard Amadon

Introduction to plane-wave based DFT - part 2 - François Jollet

Magnetism and ABINIT - Eric Bousquet

ABINIT and parallelization - Marc Torrent

Structural optimisation and molecular dynamics with ABINIT - Grégory Geneste

Tuning ABINIT - Marc Torrent

Post-processing with ABINIT - Boris Dorado

Energy landscape exploration (NEB, ...) - Grégory Geneste

Correlated electrons: LDA+U - Bernard Amadon
Correlated electrons: constrained RPA - Bernard Amadon

Density-Functional Perturbation Theory - part 1 - Xavier Gonze
Density-Functional Perturbation Theory - part 2 - Boris Dorado

 

Hands-on session material

Software environment during the school (pdf)

How to submit a job on Cobalt supercomputer (pdf)

Submission script for Cobalt

Installing ABINIT - Tutorial - All files (tar) - Tuto for laptop (pdf) - Tuto for supercomputer (pdf)

ABINIT and parallelization (tar)

Structural optimisation and molecular dynamics with ABINIT (tar)

Tuning ABINIT (tar)

Post-processing with ABINIT (tar)

Energy landscape exploration (string method) (rar)

LDA+U and computation of U and J by cRPA (rar)

Density-Functional Perturbation Theory and TDEP (rar)

 

 


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