openmx
package for nano-scale material simulations
Install
- All systems
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curl cmd.cat/openmx.sh
- Debian
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apt-get install openmx - Ubuntu
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apt-get install openmx - Kali Linux
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apt-get install openmx - Windows (WSL2)
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sudo apt-get updatesudo apt-get install openmx - Raspbian
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apt-get install openmx - Dockerfile
- dockerfile.run/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.