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
108590 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
67159 1996 Computational Mater G Kresse, J Furthmüller
Sci 6 (1), 15, 1996
6181 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
2786 2006 Software VASP, vienna (1999) G Kresse, J Furthmüller
Phys. Rev. B 54 (11), 169, 1996
1437 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
1412 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
917 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
627 2007 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
498 2006 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
493 1994 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
449 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
433 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
430 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
420 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
415 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
373 1997 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
326 2009 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
324 2020 Optical properties of semiconductors using projector-augmented waves B Adolph, J Furthmüller, F Bechstedt
Physical Review B 63 (12), 125108, 2001
321 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
312 1996 