Dr. Abderrahmane Reggad

Showing posts with the label Vasp CodeShow All

Vasp Code

How to do volume optimization using ASE interface

The ASE (Atomic Simulation Environment) interface s a set of tools and Python modules for setting up, manipulating, running, visualizing and a…

Vasp Code

We will calculate the J2 parameter which represents the superexchange coupling between the next nearest neighbors (d Ni-Ni = 4.17 A)using the GGA+…

Vasp Code

We need the 4 input files for a SCF calculation and modified INCAR KPOINT files for dos calculation POSCAR fcc Si: 3.9 0.5 0.5 0.0 0.0 0.5 0.5 …

Vasp Code

We need the 4 input files for a SCF calculation and modified INCAR KPOINT files for band calculation POSCAR fcc Si: 3.9 0.5 0.5 0.0 0.0 0.5 0…

Vasp Code

To download the package click on the following link: p4vasp You will get p4vasp-master.zip After unzip the file you will get the directory p4vas…

Vasp Code

To install the vasp code click on the following link: How to install the Vasp code To execute vasp code we need always 4 input files which are…

Vasp Code

Vasp code is a non free code First of all we need to add the path to the ~/.bashrc file VASPROOT=/home/algerien1970/abinitio/vasp.5.4.1/bin…