Siesta I - Psi-k

More documents

Recommendations

Info

Geobacter pili’s pilin (geo-bio-nano!) Soil bacteria feeding from ferrous minerals by electron transfer Ambient (fluid) conditions nA, 0.1 G Ohm G. Reguera et al. Nature 435, 1098 (2005) G. Feliciano, A. J. R. da Silva, G. Reguera & EA
Candidate material for spintronics a 20 ì m B,M LSMO [100] b CNT LSMO c LSMO x CNT 300 nm Magnetoresistance in device made of LSMO strips bridged by CNT L. E. Hueso et al, Nature (in press; cond-mat/0511697)
Page 1 and 2: Linear-scaling DFT and the SIESTA m
Page 3 and 4: LINEAR SCALING CPU load ~ N 3 Early
Page 5 and 6: Orbital-free linear-scaling DFT •
Page 7 and 8: HARTREE (electrostatics) • SIESTA
Page 9 and 10: SIESTA method Linear-scaling DFT ba
Page 11 and 12: Hard confining potentials A single
Page 13 and 14: Multiple-zeta E. Artacho et al. , P
Page 15 and 16: Linear-scaling matrix-element calcu
Page 17 and 18: Eggbox 50 Ry 4.4 Bohr Common to man
Page 19 and 20: Linear-scaling solution ! ! • Sea
Page 21 and 22: Localised solutions R c
Page 23 and 24: Local minima: a way to see it Consi
Page 25 and 26: Kim, Mauri & Galli’s functional M
Page 27 and 28: Other linear-scaling solvers • Di
Page 29 and 30: http://www.uam.es/siesta
Page 31: Inhibition of cyclin-dependent kina
Page 35 and 36: Electronic structure at the LSMO/CN
Page 37 and 38: GGA: LSMO (001) surface. x = 1/3
Page 39 and 40: Acknowledgments Daniel Sanchez-Port

Siesta I - Psi-k

Create successful ePaper yourself

Delete template?

Save as template?