Hands-on introduction to Electronic Structure and Thermodynamics Calculations of Real Materials

University of Illinois at Urbana-Champaign, June 13-23, 2005


MCC SS05

      Survey
    Schedule
     Getting started
    TBPW
    Abinit
     SIESTA
     SIESTA on MCC BW
    ThermoToolKit
    Coherency Strain
    ATAT
    MC
    Diffusion in Alloys
    MCC BW
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