FHI-vibes: Ab initio Vibrational Simulations

oleh Knoop, Florian, Purcell, Thomas A. R., Scheffler, Matthias, Carbogno, Christian
Terbitan: 2020

GIMS: Graphical Interface for Materials Simulations

oleh Kokott, Sebastian, Hurtado, Iker, Vorwerk, Christian, Draxl, Claudia, Blum, Volker, Scheffler, Matthias
Terbitan: 2020

FAIRmat - Letter of Intent

oleh Draxl, Claudia, Scheffler, Matthias, Albrecht, Martin, Greiner, Mark, Bungartz, Hans-Joachim, Wöll, Christof, Aeschlimann, Martin, Auer, Sören, Baldauf, Carsten, Bereau, Tristan, Blügel, Stefan, Botti, Silvana, Brabec, Christoph J., Dreyer, Malte, Dropka, Natasha, Ernstorfer, Ralph, Esser, Norbert, Felser, Claudia, Ghiringhelli, Luca, Gläser, Roger, Groß, Axel, Grundmann, Marius, Gurlo, Aleksander, Hammerschmidt, Thomas, Haraszti, Tamas, Helbig, Kerstin, Hecht, Stefan, Heine, Thomas, Janek, Jürgen, Junkes, Heinz, Käs, Josef A., Koch, Christoph, Köster, Sarah, Kremer, Kurt, Krieger, Michael, Kühbach, Markus, Lederer, Hermann, Mertig, Ingrid, Nagel, Wolfgang, Pentcheva, Rossitza, Raabe, Dierk, Reinefeld, Alexander, Reuter, Karsten, Ritz, Raphael, Rodriguez-Emmenegger, Cesar, Runge, Erich, Scheidgen, Markus, Schlögl, Robert, Schröder, Thomas, Sutmann, Godehard, Trunschke, Annette, Unold, Thomas, Valenti, Roser, von Wenckstern, Holger, Weber, Dieter, Weber, Heiko, Wesner, Stefan, Wosnitza, Joachim
Terbitan: 2020

FAIRmat - Abstract

oleh Draxl, Claudia, Scheffler, Matthias, Albrecht, Martin, Greiner, Mark, Bungartz, Hans-Joachim, Wöll, Christof, Aeschlimann, Martin, Auer, Sören, Baldauf, Carsten, Bereau, Tristan, Blügel, Stefan, Botti, Silvana, Brabec, Christoph J., Dreyer, Malte, Dropka, Natasha, Ernstorfer, Ralph, Esser, Norbert, Felser, Claudia, Ghiringhelli, Luca, Gläser, Roger, Groß, Axel, Grundmann, Marius, Gurlo, Aleksander, Hammerschmidt, Thomas, Haraszti, Tamas, Helbig, Kerstin, Hecht, Stefan, Heine, Thomas, Janek, Jürgen, Junkes, Heinz, Käs, Josef A., Koch, Christoph, Köster, Sarah, Kremer, Kurt, Krieger, Michael, Kühbach, Markus, Lederer, Hermann, Mertig, Ingrid, Nagel, Wolfgang, Pentcheva, Rossitza, Raabe, Dierk, Reinefeld, Alexander, Reuter, Karsten, Ritz, Raphael, Rodriguez- Emmenegger, Cesar, Runge, Erich, Scheidgen, Markus, Schlögl, Robert, Schröder, Thomas, Sutmann, Godehard, Trunschke, Annette, Unold, Thomas, Valenti, Roser, von Wenckstern, Holger, Weber, Dieter, Weber, Heiko, Wesner, Stefan, Wosnitza, Joachim
Terbitan: 2020

A new version of the program for the calculation of the green's function for a crystal surface or interface

oleh CPC, Mendeley
Terbitan: Mendeley, 1987

Surface green's function for a rumpled crystal surface

oleh CPC, Mendeley
Terbitan: Mendeley, 1988

Simultaneous calculation of the equilibrium atomic structure and its electronic ground state using density-functional theory

oleh CPC, Mendeley
Terbitan: Mendeley, 1994

Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory

oleh CPC, Mendeley
Terbitan: Mendeley, 1999

Calculation of the green's function for a crystal surface or interface

oleh CPC, Mendeley
Terbitan: Mendeley, 1985

A self-consistent surface Green-function (SSGF) method for the calculation of isolated adsorbate atoms on a semi-infinite crystal

oleh CPC, Mendeley
Terbitan: Mendeley, 1994

Green function for crystal surfaces I

oleh CPC, Mendeley
Terbitan: Mendeley, 1995

Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics

oleh CPC, Mendeley
Terbitan: Mendeley, 1997

Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN

oleh CPC, Mendeley
Terbitan: Mendeley, 1996

Improving the efficiency of FP-LAPW calculations

oleh CPC, Mendeley
Terbitan: Mendeley, 2000