{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"Back to the main [Index](index.ipynb) "
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Post-processing DFPT calculations with the DDB file"
]
},
{
"cell_type": "markdown",
"metadata": {},
"source": [
"This notebook explains how to use AbiPy and the DDB file produced by Abinit to analyze:\n",
"\n",
"* foo\n",
"* bar\n",
"\n",
"In the last part, we discuss how to use the `DdbRobot` to analyze multiple DDB\n",
"files and perform typical convergence studies.\n",
"\n",
"## Table of Contents\n",
"\n",
"* [How to create a Ddbfile object](#How-to-create-a-DdbFile-object)\n",
"* [Invoking Anaddb from the DdbFile object](#Invoking-Anaddb-from-the-DdbFile-object)\n",
"\n",
"## Suggested references\n",
"\n",
"* [Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory](https://journals.aps.org/prb/abstract/10.1103/PhysRevB.55.10355)\n",
"* [Phonons and related crystal properties from density-functional perturbation theory](https://journals.aps.org/rmp/abstract/10.1103/RevModPhys.73.515)\n",
"\n",
"AbiPy, [pymatgen](http://pymatgen.org/) and [fireworks](https://materialsproject.github.io/fireworks/)\n",
"have been used by [Petretto et al](https://www.sciencedirect.com/science/article/pii/S0927025617307243)\n",
"to compute the vibrational properties of more than 1500 compounds with Abinit.\n",
"The results are available on the [materials project website](https://materialsproject.org/).\n",
"The results for this phase of MgO are available at