P Blaha
Cited by
Cited by
P Blaha, K Schwarz, GKH Madsen, D Kvasnicka, J Luitz
An augmented plane wave+ local orbitals program for calculating crystal …, 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
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
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
Solid state calculations using WIEN2k
K Schwarz, P Blaha
Computational Materials Science 28 (2), 259-273, 2003
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
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
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), 074101, 2020
Calculation of the lattice constant of solids with semilocal functionals
P Haas, F Tran, P Blaha
Physical Review B 79 (8), 085104, 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
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
Merits and limits of the modified Becke-Johnson exchange potential
D Koller, F Tran, P Blaha
Physical Review B 83 (19), 195134, 2011
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
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
Improving the modified Becke-Johnson exchange potential
D Koller, F Tran, P Blaha
Physical Review B 85 (15), 155109, 2012
Computer code WIEN2K
P Blaha, K Schwarz, GKH Madsen, D Kvasnicka, J Luitz
Vienna University of Technology, 2001
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
Applications of Engel and Vosko’s generalized gradient approximation in solids
P Dufek, P Blaha, K Schwarz
Physical Review B 50 (11), 7279, 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
First-Principles Calculation of the Electric Field Gradient of N
P Blaha, K Schwarz, P Herzig
Physical review letters 54 (11), 1192, 1985
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