notes = "spin orbit pseudopotential formulation",
}
+@Article{hemstreet93,
+ title = "First-principles calculations of spin-orbit splittings
+ in solids using nonlocal separable pseudopotentials",
+ author = "L. A. Hemstreet and C. Y. Fong and J. S. Nelson",
+ journal = "Phys. Rev. B",
+ volume = "47",
+ issue = "8",
+ pages = "4238--4243",
+ year = "1993",
+ month = feb,
+ doi = "10.1103/PhysRevB.47.4238",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.47.4238",
+ publisher = "American Physical Society",
+}
+
@Article{naveh07,
title = "Real-space pseudopotential method for spin-orbit
coupling within density functional theory",
notes = "real space spin orbit pseudopotential implementation",
}
+@Article{verstraete08,
+ title = "Density functional perturbation theory with spin-orbit
+ coupling: Phonon band structure of lead",
+ author = "Matthieu J. Verstraete and Marc Torrent and
+ Fran\ifmmode \mbox{\c{c}}\else \c{c}\fi{}ois Jollet and
+ Gilles Z\'erah and Xavier Gonze",
+ journal = "Phys. Rev. B",
+ volume = "78",
+ issue = "4",
+ pages = "045119",
+ numpages = "9",
+ year = "2008",
+ month = jul,
+ doi = "10.1103/PhysRevB.78.045119",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.045119",
+ publisher = "American Physical Society",
+}
+
+@Article{cuadrado12,
+ author = "R. Cuadrado and J. I. Cerdá",
+ title = "Fully relativistic pseudopotential formalism under an
+ atomic orbital basis: spin-orbit splittings and
+ magnetic anisotropies",
+ journal = "Journal of Physics: Condensed Matter",
+ volume = "24",
+ number = "8",
+ pages = "086005",
+ URL = "http://stacks.iop.org/0953-8984/24/i=8/a=086005",
+ year = "2012",
+}
+
+@Article{canning00,
+ title = "Parallel Empirical Pseudopotential Electronic
+ Structure Calculations for Million Atom Systems",
+ journal = "Journal of Computational Physics",
+ volume = "160",
+ number = "1",
+ pages = "29--41",
+ year = "2000",
+ note = "",
+ ISSN = "0021-9991",
+ doi = "http://dx.doi.org/10.1006/jcph.2000.6440",
+ URL = "http://www.sciencedirect.com/science/article/pii/S0021999100964404",
+ author = "A. Canning and L. W. Wang and A. Williamson and A.
+ Zunger",
+}
+
+@Article{oliveira08,
+ title = "Generating relativistic pseudo-potentials with
+ explicit incorporation of semi-core states using {APE},
+ the Atomic Pseudo-potentials Engine",
+ journal = "Computer Physics Communications",
+ volume = "178",
+ number = "7",
+ pages = "524--534",
+ year = "2008",
+ note = "",
+ ISSN = "0010-4655",
+ doi = "http://dx.doi.org/10.1016/j.cpc.2007.11.003",
+ URL = "http://www.sciencedirect.com/science/article/pii/S0010465507004651",
+ author = "Micael J. T. Oliveira and Fernando Nogueira",
+ keywords = "Pseudo-potential",
+ keywords = "Electronic structure",
+ keywords = "Density functional",
+}
+
@Article{fornberg88,
author = "Bengt Fornberg",
title = "Generation of finite difference formulas on
URL = "http://link.aps.org/doi/10.1103/PhysRevB.51.17398",
publisher = "American Physical Society",
}
+
+@Article{sorensen92,
+ author = "D. Sorensen",
+ title = "Implicit Application of Polynomial Filters in a k-Step
+ Arnoldi Method",
+ journal = "SIAM Journal on Matrix Analysis and Applications",
+ volume = "13",
+ number = "1",
+ pages = "357--385",
+ year = "1992",
+ doi = "10.1137/0613025",
+ URL = "http://epubs.siam.org/doi/abs/10.1137/0613025",
+ eprint = "http://epubs.siam.org/doi/pdf/10.1137/0613025",
+}
+
+@Article{sorensen01,
+ title = "{ARPACK} Software Package",
+ author = "D. C. Sorensen and R. B. Lehoucq and C. Yang and K.
+ Maschhoff",
+ journal = "Rice University",
+ year = "2001",
+}
+
+@Article{luo08,
+ title = "Quantum-size-induced electronic transitions in quantum
+ dots: Indirect band-gap GaAs",
+ author = "Jun-Wei Luo and Alberto Franceschetti and Alex
+ Zunger",
+ journal = "Phys. Rev. B",
+ volume = "78",
+ issue = "3",
+ pages = "035306",
+ numpages = "8",
+ year = "2008",
+ month = jul,
+ doi = "10.1103/PhysRevB.78.035306",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.035306",
+ publisher = "American Physical Society",
+}
+
+@Misc{openmp08,
+ author = "{OpenMP Architecture Review Board}",
+ title = "{OpenMP} Application Program Interface Version 3.0",
+ month = may,
+ year = "2008",
+ URL = "\url{http://www.openmp.org/mp-documents/spec30.pdf}",
+}
+
+@Book{anderson99,
+ author = "E. Anderson and Z. Bai and C. Bischof and L. S.
+ Blackford and J. Demmel and J. Dongarra and J. Du Croz
+ and A. Greenbaum and S. Hammarling and A. McKenney and
+ D. Sorensen",
+ title = "{LAPACK} Users' Guide",
+ publisher = "Society for Industrial and Applied Mathematics",
+ year = "1999",
+ doi = "10.1137/1.9780898719604",
+ address = "",
+ edition = "Third",
+ URL = "http://epubs.siam.org/doi/abs/10.1137/1.9780898719604",
+ eprint = "http://epubs.siam.org/doi/pdf/10.1137/1.9780898719604",
+}
+
+@Article{lawson79,
+ author = "C. L. Lawson and R. J. Hanson and D. R. Kincaid and F.
+ T. Krogh",
+ title = "{Algorithm 539}: {Basic Linear Algebra Subprograms}
+ for {Fortran} Usage [{F1}]",
+ journal = "{ACM} Transactions on Mathematical Software",
+ volume = "5",
+ number = "3",
+ pages = "324--325",
+ month = sep,
+ year = "1979",
+ CODEN = "ACMSCU",
+ ISSN = "0098-3500",
+ URL = "http://doi.acm.org/10.1145/355841.355848",
+}
+
+@Article{hartwigsen98,
+ title = "Relativistic separable dual-space Gaussian
+ pseudopotentials from {H} to Rn",
+ author = "C. Hartwigsen and S. Goedecker and J. Hutter",
+ journal = "Phys. Rev. B",
+ volume = "58",
+ issue = "7",
+ pages = "3641--3662",
+ year = "1998",
+ month = aug,
+ doi = "10.1103/PhysRevB.58.3641",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.58.3641",
+ publisher = "American Physical Society",
+}
+
+@InProceedings{frigo98,
+ author = "M. Frigo and S. G. Johnson",
+ booktitle = "Acoustics, Speech and Signal Processing, 1998.
+ Proceedings of the 1998 IEEE International Conference
+ on",
+ title = "{FFTW}: an adaptive software architecture for the
+ {FFT}",
+ year = "1998",
+ month = may,
+ volume = "3",
+ number = "",
+ pages = "1381--1384 vol.3",
+ keywords = "DFT;FFT;FFTW;adaptive FFT program;adaptive software
+ architecture;computer architecture;fast
+ algorithm;floating-point operations;memory
+ hierarchy;performance;processor
+ pipeline;self-optimizing approach;adaptive
+ systems;discrete Fourier transforms;fast Fourier
+ transforms;mathematics computing;",
+ doi = "10.1109/ICASSP.1998.681704",
+ ISSN = "1520-6149",
+}
+
+@Article{frigo05,
+ author = "M. Frigo and S. G. Johnson",
+ journal = "Proceedings of the IEEE",
+ title = "The Design and Implementation of {FFTW3}",
+ year = "2005",
+ month = feb,
+ volume = "93",
+ number = "2",
+ pages = "216--231",
+ keywords = "DFT algorithm;FFTW3 design;FFTW3 version;cosine
+ transforms;discrete Fourier transform;hand optimized
+ libraries;machine specific single instruction;multiple
+ data instructions;sine transforms;software
+ structure;discrete Fourier transforms;discrete cosine
+ transforms;mathematics computing;optimising
+ compilers;parallel programming;software libraries;",
+ doi = "10.1109/JPROC.2004.840301",
+ ISSN = "0018-9219",
+}
+
+@InCollection{takahashi10,
+ author = "Daisuke Takahashi",
+ affiliation = "Graduate School of Systems and Information
+ Engineering, University of Tsukuba, 1-1-1 Tennodai,
+ Tsukuba, Ibaraki, 305-8573 Japan",
+ title = "An Implementation of Parallel 3-{D} {FFT} with 2-{D}
+ Decomposition on a Massively Parallel Cluster of
+ Multi-core Processors",
+ booktitle = "Parallel Processing and Applied Mathematics",
+ series = "Lecture Notes in Computer Science",
+ editor = "Roman Wyrzykowski and Jack Dongarra and Konrad
+ Karczewski and Jerzy Wasniewski",
+ publisher = "Springer Berlin / Heidelberg",
+ ISBN = "978-3-642-14389-2",
+ keyword = "Computer Science",
+ pages = "606--614",
+ volume = "6067",
+ URL = "http://dx.doi.org/10.1007/978-3-642-14390-8_63",
+ year = "2010",
+}
projects / lectures / latex.git / blobdiff