a fork of DFT openMX
The forum of openMX
- Database (2019) of VPS and PAO
- Database (2019) of VPS and PAO for core excitations
- Absolute binding energies of core levels
- Ionization potential and electron affinity of gaseous systems
- Divide-conquer method with localized natural orbitals (DC-LNO) method
- Optical conductivity and dielectric function