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
115194 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
72384 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
3342 2006 Software VASP, vienna (1999) G Kresse, J Furthmüller
Phys. Rev. B 54 (11), 169, 1996
1429 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
1418 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
954 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
651 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
510 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
508 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
451 2002 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
442 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
435 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
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
417 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
375 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
336 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
318 1996 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
282 1999 