wien2k P Blaha, K Schwarz, GKH Madsen, D Kvasnicka, J Luitz An augmented plane wave+ local orbitals program for calculating crystal …, 2001 | 12374 | 2001 |

Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential F Tran, P Blaha Physical review letters 102 (22), 226401, 2009 | 5338 | 2009 |

Full-potential, linearized augmented plane wave programs for crystalline systems P Blaha, K Schwarz, P Sorantin, SB Trickey Computer physics communications 59 (2), 399-415, 1990 | 2942 | 1990 |

Electronic structure calculations of solids using the WIEN2k package for material sciences K Schwarz, P Blaha, GKH Madsen Computer physics communications 147 (1-2), 71-76, 2002 | 1937 | 2002 |

Solid state calculations using WIEN2k K Schwarz, P Blaha Computational Materials Science 28 (2), 259-273, 2003 | 1334 | 2003 |

WIEN2k: An APW+ lo program for calculating the properties of solids P Blaha, K Schwarz, F Tran, R Laskowski, GKH Madsen, LD Marks The Journal of chemical physics 152 (7), 2020 | 1294 | 2020 |

Efficient linearization of the augmented plane-wave method GKH Madsen, P Blaha, K Schwarz, E Sjöstedt, L Nordström Physical Review B 64 (19), 195134, 2001 | 1239 | 2001 |

Accurate density functional with correct formal properties: A step beyond the generalized gradient approximation JP Perdew, S Kurth, A Zupan, P Blaha Physical review letters 82 (12), 2544, 1999 | 1186 | 1999 |

Calculation of the lattice constant of solids with semilocal functionals P Haas, F Tran, P Blaha Physical Review B 79 (8), 085104, 2009 | 1057 | 2009 |

Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016 | 1029 | 2016 |

Merits and limits of the modified Becke-Johnson exchange potential D Koller, F Tran, P Blaha Physical Review B 83 (19), 195134, 2011 | 872 | 2011 |

Molecular and solid‐state tests of density functional approximations: LSD, GGAs, and meta‐GGAs S Kurth, JP Perdew, P Blaha International journal of quantum chemistry 75 (4‐5), 889-909, 1999 | 868 | 1999 |

WIEN97: full potential linearized augmented plane wave package for calculating crystal properties; release 97.8 (April 1999) P Blaha, K Schwarz, J Luitz University of Technology, Inst. of Physical and Theoretical Chemistry, 1999 | 815 | 1999 |

Lattice dynamics and hyperfine interactions in ZnO and ZnSe at high external pressures H Karzel, W Potzel, M Köfferlein, W Schiessl, M Steiner, U Hiller, ... Physical Review B 53 (17), 11425, 1996 | 707 | 1996 |

Improving the modified Becke-Johnson exchange potential D Koller, F Tran, P Blaha Physical Review B 85 (15), 155109, 2012 | 655 | 2012 |

WIEN97, Vienna University of Technology 1997 P Blaha Comput. Phys. Commun. 59, 399, 1990 | 507 | 1990 |

MJ vanSetten, V. Van Speybroeck, JM Wills, JR Yates, GX Zhang, S. Cottenier, Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, ... Science 351, 1415-U1481, 2016 | 475* | 2016 |

Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides F Tran, P Blaha, K Schwarz, P Novák Physical Review B 74 (15), 155108, 2006 | 453 | 2006 |

Applications of Engel and Vosko’s generalized gradient approximation in solids P Dufek, P Blaha, K Schwarz Physical Review B 50 (11), 7279, 1994 | 442 | 1994 |

Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional F Tran, R Laskowski, P Blaha, K Schwarz Physical review B 75 (11), 115131, 2007 | 393 | 2007 |