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main home page nothing amuses more harmlessly than computation and nothing is oftener applicable to real business or speculative enquiries. a thousand stories which the ignorant tell, and believe, die away at once, when the computist takes them in his grip. samuel johnson castep is a leading code for calculating the properties of materials from first principles. using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. in particular it has a wide range of spectroscopic features that link directly to experiment, such as infra-red and raman spectroscopies, nmr, and core level spectra. chris pickard awarded iop rayleigh medal and prize for "his development of new theories and computational tools for the first principles investigation of matter, which have greatly aided the interpretation of magnetic resonance experiments, have revealed a range of unexpected phenomena in materials at extreme pressures, and increasingly underpin computational materials discovery". full citation on iop website 2018 castep workshop in oxford the castep developers will hold a training workshop 20th-24th august in oxford workshop2018 . research highlight suppression of thermal conductivity by rattling modes in thermoelectric sodium cobaltate thermoelectric materials are found in applications from waste energy recovery to solid-state refrigeration. their performance is characterised by a figure-of-merit which is inversely proportional to thermal conductivity, and is highest in materials with low-frequency, anharmonic " rattler " modes. a joint experimental and computational investigation of the phonon spectrum of sodium cobaltate reveals low frequency einstein-like modes with small dispersion across the brillouin zone. ref . more highlights view edit print find it castep about capabilities getting castep referencing and logo research highlights for users online tutorials documentation frequently asked questions workshops mailing list other codes benchmarks links login page last modified on april 10, 2018, at 02:20 pm drop shadow theme adapted by david gilbert , powered by pmwiki

URL analysis for castep.org

http://www.castep.org/castep/forusers
http://www.castep.org/castep/frequentlyaskedquestions
http://www.castep.org/main/homepage
http://www.castep.org/main/homepage?action=login
http://www.castep.org/castep/castep
http://www.castep.org
http://www.castep.org/castep/onlinetutorials
http://www.castep.org/castep/referencingandlogo
http://www.castep.org/main/homepage?action=edit
http://www.castep.org/castep/othercodes
http://www.castep.org/main/homepage?action=print
http://www.castep.org/castep/mailinglist
http://www.castep.org/prop/prop
http://www.castep.org/main
http://www.castep.org/castep/researchhighlights

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WHOIS LIMIT EXCEEDED - SEE WWW.PIR.ORG/WHOIS FOR DETAILS

  REFERRER http://www.pir.org/

  REGISTRAR Public Interest Registry

SERVERS

  SERVER org.whois-servers.net

  ARGS castep.org

  PORT 43

  TYPE domain

  REGISTERED unknown

DOMAIN

  NAME castep.org

NSERVER

  DNS0.EASILY.CO.UK 185.83.100.31

  DNS1.EASILY.CO.UK 185.83.102.32

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