How to do Total DOS calculation of Silicon

To download and install the Abinit code click on the following link:  How to download and install Abinit code     To do the band calculation we ne…

How to optimize the lattice parameter of Silicon

To download and install the Abinit code click on the following link:  How to download and install Abinit code    To do optimization of lattice par…

How to calculate the Band Structure of Silicon

To download and install the Abinit code click on the following link:  How to download and install Abinit code     To do the band calculation we ne…

How to do a SCF calculation of Copper

To download and install the Abinit code click on the following link:  How to download and install Abinit code   To do a SCF calculation we need 2 …

How to download and install Abinit code

First we need to add the path to the ~/.bashrc   file #---------Abinit path---------------------------------- export ABINITROOT=/home/algerien/abin…

cif2cell (abinit input)

cif2cell -p abinit --print-seitz-matrices -f case.cif □ case.files ----- case.in case.out casei caseo casetmp C.GGA_PBE-JTH.xml Ti.GGA_PBE-JTH.xml …

Abinit (intel compiler + openmpi + MKL and build file)