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--- compat:programs [2020/08/05 15:49] – [Visualization Programs] Jean-Michel Beuken
+++ compat:programs [2020/08/10 20:17] (current) – [Databases] Xavier Gonze
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 It runs on GNU/Linux, MAC OSX (requires X11) and Windows (requires CYGWIN).
-===== Lectures =====
-[[http://www.springer.com/physics/theoretical,+mathematical+%26+computational+physics/book/978-3-540-03083-6|A general reference on DFT]]:
-"A primer in Density Functional Theory" Fiolhais, Carlos; Nogueira, Fernando; Marques, Miguel A. L. (Eds.)
-, XIII,256p., Hardcover, Springer (ISBN: 3-540-03083-2)
-[[http://www.fz-juelich.de/nic-series/index.html|NIC Series site]] where you can find relevant papers:
-[[http://www.cpfs.mpg.de/ELF/|Chemical Bonding Analysis in Direct Space - Electron Localization Function]]
-===== Crystalline Structures =====
-[[http://www.cryst.ehu.es|Bilbao server for Crystallography]]
-contains symmetry information and k-vector notations for all the 230 space groups
-[[http://www.minsocam.org/MSA/Research_Links.html|Mineral-related links]]
-from Mineralogical Society of America, http://www.minsocam.org
-[[http://webmineral.com/|Mineralogy Database]] gives us detailed explanations with pictures of many crystals.
-[[http://www.geo.arizona.edu/AMS/amcsd.phgp|American Mineralogist Crystal Structure Database]]
-Useful URL list: http://chemistry.about.com/od/crystallography/
-[[http://icsd.ill.fr/icsd/|ICSD]] (Inorganic Crystal Structure Database) for WWW
-The free part of the excellent database is small (3,325 out of 76,480 in 2004), still it may be useful.
-[[http://www.iucr.org/iucr-top/comm/cteach/pamphlets.html|Teaching Pamphlets]]
-for Crystallography are available at the [[http://www.iucr.org|IUCr site]]
-You might also be interested in some hyperlinks there.
-About [[http://www.iucr.org/iucr-top/cif/index.html|CIF]] (Crystallographic Information File)
-[[http://www.iucr.org/sincris-top/|SINCRYS]] (Information Server for Crystallography)
-The [[http://database.iem.ac.ru/mincryst|mincryst]] crystallographic database, with 6000 minerals
-===== Phonons =====
-The phonon dispersion curves of metals are collected in Landolt-Boernstein Tables,
-volume 13, subvolume a, by P.H. Dederichs, H. Schober, D.J.Sellmyer (1981)
-Book of Bilz and Kress edited by Springer Verlag
-See http://wolf.ifj.edu.pl/phonondb
-===== Periodic Table =====
-The following URL might help, when you would like to check the periodic table of
-the elements via internet: http://www.webelements.com/webelements/index.html
-[[http://www.toddmiller.com/epte/index.html|The Electronic Periodic Table of the Elements]]
-The source (epte.tar.gz, 9MB) is available, under GPL.
-===== Databases =====
-[[http://physics.nist.gov/PhysRefData/DFTdata/|Atomic Reference Data]]
-for electronic structure calculations by Svetlana Kotochigova, Zachary Levine, Eric Shirley, Mark Stiles
-and Charles Clarck.
-The table of "Atomic total energies and eigenvalues" for the ground electronic configuration are available [[http://physics.nist.gov/PhysRefData/DFTdata/Tables/ptable.html|here]].
-Web site about ab initio calculations of material properties
-http://www.geocities.co.jp/Technopolis/4765
-[[http://www.phys.ufl.edu/fermisurface|The Fermi Surface Database]]:
-Images available in the Periodic Table
-T.-S. Choy, J. Naset, J. Chen, S. Hershfield, and C. Stanton.
-A database of fermi surface in virtual reality modeling language (vrml).
-Bulletin of The American Physical Society, 45(1):L36 42, 2000.