Model structure of v-GeSe2: Model I
Number of atoms: 180
Supercell side: 17.355 Å
Average Ge--Se: 2.42 Å
Average Ge--Se--Ge: 100.6
Reference papers:
-
Luigi Giacomazzi, C. Massobrio, and Alfredo Pasquarello
First-Principles Investigation of the Structural and Vibrational Properties
of Vitreous GeSe2
Physical Review B 75, 174207 (2007).
Used for calculations of:
- Neutron and x-ray structure factors
- Electronic and vibrational density of states
- Neutron vibrational density of states
- Dielectric function in the infrared region
- Raman spectra (non- resonant)
Atomic positions files (on demand only):
atomic positions (XYZ)
(details)
atomic positions (XSF)
(details)
atomic positions (bohr)
(details)