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Tags: tool:dftqe

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  1. How to include pseudo potentials in dftqe? How to make usage of parallel nodes?

    Closed | Responses: 0

    I am facing big problem with inclusion of psudopotentials for certain atomic species. I thought that there is no provision in this tool to include pseudo potentials.

    Some examples...

    http://nanohub.org/answers/question/813

  2. How to include spin-polarized calculation in dftqe with this tool?

    Closed | Responses: 0

    Dear users, i have a question about this tool? How to include Spin-polarized calculation in dftqe with this tool?

    please guide me, Reza

    http://nanohub.org/answers/question/855

  3. Is there any way to have a full QE input parameters with this tool ?

    Closed | Responses: 0

    http://nanohub.org/answers/question/1214

  4. Why are there only three components in the stress tensor?

    Closed | Responses: 1

    I try to simulation nickel under stress by changing the input cell geometry. However, in the data section of the final result, under “—- Final stress —-”, there are only...

    http://nanohub.org/answers/question/1357

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