Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set G Kresse, J Furthmüller Physical review B 54 (16), 11169, 1996 | 62309 | 1996 |

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set G Kresse, J Furthmüller Computational materials science 6 (1), 15-50, 1996 | 39318 | 1996 |

Linear optical properties in the projector-augmented wave methodology M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt Physical Review B 73 (4), 045112, 2006 | 1740 | 2006 |

Absorption and emission of hexagonal InN. Evidence of narrow fundamental band gap VY Davydov, AA Klochikhin, RP Seisyan, VV Emtsev, SV Ivanov, ... physica status solidi (b) 229 (3), r1-r3, 2002 | 1278 | 2002 |

Ab initio force constant approach to phonon dispersion relations of diamond and graphite G Kresse, J Furthmüller, J Hafner EPL (Europhysics Letters) 32 (9), 729, 1995 | 666 | 1995 |

Quasiparticle band structure based on a generalized Kohn-Sham scheme F Fuchs, J Furthmüller, F Bechstedt, M Shishkin, G Kresse Physical Review B 76 (11), 115109, 2007 | 517 | 2007 |

First-principles study of ground- and excited-state properties of , , and polymorphs A Schleife, F Fuchs, J Furthmüller, F Bechstedt Physical Review B 73 (24), 245212, 2006 | 410 | 2006 |

Band gap of hexagonal InN and InGaN alloys VY Davydov, AA Klochikhin, VV Emtsev, DA Kurdyukov, SV Ivanov, ... physica status solidi (b) 234 (3), 787-795, 2002 | 401 | 2002 |

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set G Kress, J Furthmüller Phys. Rev. B 54 (16), 11169-11186, 1996 | 394 | 1996 |

Band Gap of InN and In‐Rich In_{x}Ga_{1—x}N alloys (0.36 < x < 1)VY Davydov, AA Klochikhin, VV Emtsev, SV Ivanov, VV Vekshin, ... physica status solidi (b) 230 (2), R4-R6, 2002 | 393 | 2002 |

Ultrasoft pseudopotentials applied to magnetic Fe, Co, and Ni: From atoms to solids EG Moroni, G Kresse, J Hafner, J Furthmüller Physical Review B 56 (24), 15629, 1997 | 393 | 1997 |

Ab initio calculation of the structural and electronic properties of carbon and boron nitride using ultrasoft pseudopotentials J Furthmüller, J Hafner, G Kresse Physical review B 50 (21), 15606, 1994 | 353 | 1994 |

Absolute surface energies of group-IV semiconductors: dependence on orientation and reconstruction AA Stekolnikov, J Furthmüller, F Bechstedt Physical Review B 65 (11), 115318, 2002 | 341 | 2002 |

Polytypism and properties of silicon carbide F Bechstedt, P Käckell, A Zywietz, K Karch, B Adolph, K Tenelsen, ... physica status solidi (b) 202 (1), 35-62, 1997 | 296 | 1997 |

Optical properties of semiconductors using projector-augmented waves B Adolph, J Furthmüller, F Bechstedt Physical Review B 63 (12), 125108, 2001 | 274 | 2001 |

Vacancies in SiC: Influence of Jahn-Teller distortions, spin effects, and crystal structure A Zywietz, J Furthmüller, F Bechstedt Physical Review B 59 (23), 15166, 1999 | 254 | 1999 |

Quasiparticle band structures of the antiferromagnetic transition-metal oxides MnO, FeO, CoO, and NiO C Rödl, F Fuchs, J Furthmüller, F Bechstedt Physical Review B 79 (23), 235114, 2009 | 250 | 2009 |

Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces J Furthmüller, J Hafner, G Kresse Physical Review B 53 (11), 7334, 1996 | 249 | 1996 |

Origin of electron accumulation at wurtzite InN surfaces I Mahboob, TD Veal, LFJ Piper, CF McConville, H Lu, WJ Schaff, ... Physical Review B 69 (20), 201307, 2004 | 229 | 2004 |

First-principles calculations of the thermodynamic and structural properties of strained In x Ga 1− x N and Al x Ga 1− x N alloys LK Teles, J Furthmüller, LMR Scolfaro, JR Leite, F Bechstedt Physical Review B 62 (4), 2475, 2000 | 214 | 2000 |