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been derived by Kresse and Joubert, and the generalization of the PAW method to noncollinear magnetism has been discussed by Hobbs, Kresse and Hafner. We...

that use this tag ↑ a b M. Shishkin and G. Kresse, Phys. Rev. B 74, 035101 (2006). ↑ a b M. Shishkin and G. Kresse, Phys. Rev. B 75, 235102 (2007). ↑ a b c...

forces ↑ J. Paier, M. Marsman, and G. Kresse, Phys. Rev. B 78, 121201 (2008). ↑ M. Kaltak, J. Klimeš, and G. Kresse, Phys. Rev. B 90, 054115 (2014). ↑ H...

Picozzi, D. D. Sarma, C. Franchini, and G. Kresse, Sci. Rep. 6, 28618 (2016). ↑ a b A. Tal, P. Liu, G. Kresse, A. Pasquarello, Accurate optical spectra...

and G. Kresse, Phys. Rev. Lett. 99, 246403 (2007). ↑ a b M. Shishkin and G. Kresse, Phys. Rev. B 74, 035101 (2006). ↑ a b M. Shishkin and G. Kresse, Phys...

Ernzerhof, J. Chem. Phys. 124, 219906 (2006). ↑ L. Schimka, J. Harl, and G. Kresse, J. Chem. Phys. 134, 024116 (2011). ↑ W. Chen, G. Miceli, G.M. Rignanese...

(1995). ↑ M. Kaltak, J. Klimeš, and G. Kresse, Phys. Rev. B 90, 054115 (2014). ↑ J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B 81, 115126 (2010). ↑ J...

Phys. Rev. B 72, 085108 (2005). ↑ A. E. Mattsson, R. Armiento, J. Paier, G. Kresse, J. M. Wills, and T. R. Mattsson, J. Chem. Phys. 128, 084714 (2008). ↑ A...

BSE calculations Examples that use this tag ↑ T. Sander, E. Maggio and G. Kresse, Phys. Rev. B 92, 045209 (2015)....

S. Picozzi, D. D. Sarma, C. Franchini, and G. Kresse, Sci. Rep. 6, 28618 (2016). ↑ A. Grüneis, G. Kresse, Y. Hinuma, and F. Oba, Phys. Rev. Lett. 112,...

Examples that use this tag ↑ M. Shishkin and G. Kresse, Phys. Rev. B 74, 035101 (2006). ↑ M. Unzog, A. Tal, G. Kresse, X-ray absorption using the projector augmented-wave...

GGA_COMPAT, LASPH, AMIX_MAG, BMIX_MAG, Examples that use this tag ↑ Hobbs, D., G. Kresse, and J. Hafner, Fully unconstrained noncollinear magnetism within the projector...

Examples that use this tag ↑ J. Harl and G. Kresse, Phys. Rev. B 77, 045136 (2008). ↑ J. Harl, L. Schimka, and G. Kresse, Phys. Rev. B 81, 115126 (2010). ↑ J...

↑ S. Vijay, M. Schlipf, H. Miranda, F. Karsai, M. Kaltak, M. Marsman, G. Kresse, Efficient periodic density functional theory calculations of charged molecules...

of GW calculations. ↑ J. Harl and G. Kresse, Phys. Rev. B 77, 045136 (2008). ↑ J. Klimeš, M. Kaltak, and G. Kresse, Phys. Rev. B 90, 075125 (2014)....

graphiteBinding_mdb.tgz ↑ a b S. Lebègue, J. Harl, Tim Gould, J. G. Ángyán, G. Kresse, and J. F. Dobson, Phys. Rev. Lett. 105, 196401 (2010). Overview > fcc Si >...

graphiteBinding_ts.tgz ↑ S. Lebègue, J. Harl, Tim Gould, J. G. Ángyán, G. Kresse, and J. F. Dobson, Phys. Rev. Lett. 105, 196401 (2010). Overview > fcc Si >...

SAXIS. ↑ M. Schüler, O.E. Peil, G.J. Kraberger, R. Pordzik, M. Marsman, G. Kresse, T.O. Wehling, and M. Aichhorn, J. Phys.: Condens. Matter 30, 475901 (2018)...

recommend the seminal papers by Kresse and Furthmüller. ↑ G. Kresse and J. Furthmüller, Comp. Mater. Sci. 6, 15 (1996) ↑ G. Kresse and J. Furthmüller, Phys....

the charge density using atomic charge densities (eq. (9.8) in thesis G. Kresse). This switch is convenient for geometry optimizations (ionic relaxation...