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
114545 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
70890 1996 Computational Mater G Kresse, J Furthmüller
Sci 6 (1), 15, 1996
6214 1996 Linear optical properties in the projector-augmented wave methodology M Gajdoš, K Hummer, G Kresse, J Furthmüller, F Bechstedt
Physical Review B—Condensed Matter and Materials Physics 73 (4), 045112, 2006
2946 2006 Software VASP, vienna (1999) G Kresse, J Furthmüller
Phys. Rev. B 54 (11), 169, 1996
1466 1996 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
1416 2002 Ab initio force constant approach to phonon dispersion relations of diamond and graphite G Kresse, J Furthmüller, J Hafner
Europhysics Letters 32 (9), 729, 1995
953 1995 Quasiparticle band structure based on a generalized Kohn-Sham scheme F Fuchs, J Furthmüller, F Bechstedt, M Shishkin, G Kresse
Physical Review B—Condensed Matter and Materials Physics 76 (11), 115109, 2007
641 2007 Theory of the crystal structures of selenium and tellurium: the effect of generalized-gradient corrections to the local-density approximation G Kresse, J Furthmüller, J Hafner
Physical Review B 50 (18), 13181, 1994
527 1994 First-principles study of ground- and excited-state properties of A Schleife, F Fuchs, J Furthmüller, F Bechstedt
Physical Review B—Condensed Matter and Materials Physics 73 (24), 245212, 2006
504 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
453 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
437 1997 Band Gap of InN and In‐Rich Inx Ga1—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
435 2002 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
428 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
421 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
378 1997 Direct-bandgap emission from hexagonal Ge and SiGe alloys EMT Fadaly, A Dijkstra, JR Suckert, D Ziss, MAJ Van Tilburg, C Mao, ...
Nature 580 (7802), 205-209, 2020
362 2020 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—Condensed Matter and Materials Physics 79 (23), 235114, 2009
334 2009 Optical properties of semiconductors using projector-augmented waves B Adolph, J Furthmüller, F Bechstedt
Physical Review B 63 (12), 125108, 2001
324 2001 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
319 1996 