Karlheinz Schwarz

Best Publications

• Full-potential, linearized augmented plane wave programs for crystalline systems

  P. Blaha;K. Schwarz;P. Sorantin;S.B. Trickey

  3307
  Citations

• WIEN2k: An APW+lo program for calculating the properties of solids

  Peter Blaha;Karlheinz Schwarz;Fabien Tran;Robert Laskowski

  2325
  Citations

• Solid state calculations using WIEN2k

  Karlheinz Schwarz;Peter Blaha

  1535
  Citations

• Reproducibility in density functional theory calculations of solids

  Kurt Lejaeghere;Gustav Bihlmayer;Torbjörn Björkman;Torbjörn Björkman;Peter Blaha

  1523
  Citations

• Efficient linearization of the augmented plane-wave method

  Georg K. H. Madsen;Peter Blaha;Karlheinz Schwarz;Elisabeth Sjöstedt

  1328
  Citations

• Ferromagnetic phases of bcc and fcc Fe, Co, and Ni.

  V. L. Moruzzi;P. M. Marcus;K. Schwarz;P. Mohn

  866
  Citations

• Lattice dynamics and hyperfine interactions in ZnO and ZnSe at high external pressures.

  H. Karzel;W. Potzel;M. Köfferlein;W. Schiessl

  731
  Citations

• DFT calculations of solids with LAPW and WIEN2k

  Karlheinz Schwarz

  547
  Citations

• Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides

  Fabien Tran;Peter Blaha;Karlheinz Schwarz;Pavel Novák

  483
  Citations

• Applications of Engel and Vosko's generalized gradient approximation in solids.

  Philipp Dufek;Peter Blaha;Karlheinz Schwarz

  458
  Citations

• Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional

  Fabien Tran;Robert Laskowski;Peter Blaha;Karlheinz Schwarz

  438
  Citations

• Itinerant metamagnetism in YCO2

  K Schwarz;P Mohn

  437
  Citations

• Band gap calculations with Becke?Johnson exchange potential

  Fabien Tran;Peter Blaha;Karlheinz Schwarz

  403
  Citations

• The interface between silicon and a high- k oxide

  Unknown

  373
  Citations

• First-principles calculation of the electric-field gradient in hcp metals.

  P. Blaha;K. Schwarz;P. H. Dederichs

  326
  Citations

• Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium

  Georg K. H. Madsen;Georg K. H. Madsen;Karlheinz Schwarz;Peter Blaha;David J. Singh

  315
  Citations

• First-Principles Calculation of the Electric Field Gradient of Li 3 N

  P. Blaha;K. Schwarz;P. Herzig

  313
  Citations

• Mikromethode zur Bestimmung verschiedener Pentosen nebeneinander bei Gegenwart von Hexosen

  Z. Dische;K. Schwarz

  297
  Citations

• Charge distribution and electric-field gradients in YBa 2 Cu 3 O 7 − x

  Karlheinz Schwarz;Claudia Ambrosch-Draxl;Peter Blaha

  295
  Citations

• Boron nitride nanomesh: functionality from a corrugated monolayer.

  Simon Berner;Martina Corso;Roland Widmer;Oliver Groening

  294
  Citations

• Density functional theory investigation of the geometric and spintronic structure of h -BN/Ni(111) in view of photoemission and STM experiments

  G. B. Grad;P. Blaha;K. Schwarz;W. Auwärter

  235
  Citations

• First-principles calculations of the instability leading to the Invar effect

  P. Entel;E. Hoffmann;P. Mohn;K. Schwarz

  226
  Citations