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castep

Content tagged with castep

Subject Author
Re: exchange correlation functional in CASTEP 1 month ago in Materials Studio by vmilman vmilman
Re: Potential written to ASCII file (seedname.pot_fmt) 1 month ago in Materials Studio by Francisco Franciné Maia Júnior Francisco Franciné Maia Júnior
Re: Divergence correction in CASTEP, sX-LDA functional 1 month ago in Materials Studio by vmilman vmilman
Re: import files to materials studio 2 months ago in Materials Studio by george02139 george02139
Re: Coordination number 2 months ago in Materials Studio by jdejoannis jdejoannis
core-level spectroscopy calculation by using CASTEP 3 months ago in Materials Studio by renqinzhang renqinzhang
Re: Excited State Calculations in CASTEP 3 months ago in Materials Studio by keith.refson keith.refson
Re: How to see the Coordination number of TiO2 with known size 4 months ago in Materials Studio by iceaiai iceaiai
Re: Bond lengths in CASTEP 7 months ago in Materials Studio by michael.fischer michael.fischer
Magnetic Properties through CASTEP 9 months ago in Getting Started with the Accelrys Community by Colin Rementer Colin Rementer
Re: Problem in Phonon calculation 10 months ago in Materials Studio by yddai yddai
Re: How to establish a .bat file of CASTEP under Windows-XP 11 months ago in Materials Studio by carsten carsten
Re: Fermi level 11 months ago in Materials Studio by amani amani
Material Studio fail running in parallel 1 year ago in Materials Studio by star130 star130
Re: How to correctly build layers for CASTEP? 1 year ago in Materials Studio by gromain gromain
CASTEP orientation dependent spectra 1 year ago in Materials Studio by cs_leeds cs_leeds
Re: Queuing system 1 year ago in Materials Studio by carsten carsten
Re: CASTEP file missing 1 year ago in Materials Studio by vmilman vmilman
Re: how can I speedup my CASTEP calculations in MS? 1 year ago in Materials Studio by carsten carsten
Using CASTEP to model optical properties of nanoclusters 1 year ago in Materials Studio by paulfons paulfons
NMR Spectra 1 year ago in Materials Studio by akmal.k.23 akmal.k.23
Re: Convergence error during NMR CASTEP calculation 1 year ago in Materials Studio by Jean-Philippe Demers Jean-Philippe Demers

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