Berichte aus Arbeitskreisen der DGK

Nr. 4 (1998)

Ausverkauft – sold out

Titel:

„Application of Computer Simulations to Crystallography“

(Kiel, Juli 1998)

B. Winkler (Herausgeber – editor)

248 Seiten

Inhalt – Table of contents:

1 Ab initio calculations with all-electron methods E.E Krasovskii
2 The planewave pseudopotential method C.J. Pickard
3 SIESTA: Linear-scaling density-functional calculations with atomic orbitals E. Artacho, P. Ordejon, D. Sanchez-Portal, A. Garcia, J.M. Soler
4 SIESTA, V0.9 E. Artacho, P. Ordejon, D. Sanchez-Portal, A. Garcia, J.M. Soler
5 Energy band structure and optical properties of minerals O.V. Krasovska
6 General Utility Lattice Programm, V1.2 J. Gale
7 Periodic Semi-Empirical Methods J. Gale