Tags: Site energy with ABINIT

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  1. Hello, how we define the different zones (intergranular zone, bulk zone, zone between this two)

    Q&A|Open | Responses: 1

    Hello,
    Please, I would like an answer to my question and sorry for this long letter:
    Well, I construct a supercell of 60 atom of Zr contains two grains oriented with an angle...

    https://nanohub.org/answers/question/1667