openmx

package for nano-scale material simulations

Install

All systems
curl cmd.cat/openmx.sh
Debian Debian
apt-get install openmx
Ubuntu
apt-get install openmx
image/svg+xml Kali Linux
apt-get install openmx
Windows (WSL2)
sudo apt-get update sudo apt-get install openmx
Raspbian
apt-get install openmx

openmx

package for nano-scale material simulations

OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors.