Electronic structure optimization in plane-wave-based density functional calculations by direct inversion in the iterative subspace
- Jürg Hutter
- Hans Peter Lüthi
- et al.
- 1994
- Computational Materials Science
Publications
13 results at Computational Materials Science
Phonon spectra from short non-thermally equilibrated molecular dynamics simulations
- Jorge Kohanoff
- 1994
- Computational Materials Science
Ab initio molecular dynamics: application to liquid copper
- Kari Laasonen
- Alfredo Pasquarello
- 1993
- Computational Materials Science