User Activity

  • Posted a comment on discussion Elk Users on Elk

    Hello, So it is not yet possible to apply a pressure in the lattice or impose a stress tensor during calculation ! !

  • Posted a comment on discussion Elk Users on Elk

    Helo dear all I will like to know regarding your experiences what is the best mixing type of potential that can be use during calculation. Elk propose 3 type that are - Linear mixing - Adaptative Linear mixing - Broyden Mixing Thanks

  • Posted a comment on discussion Elk Users on Elk

    Hello I have a question about the minimization of the time calculations during a geometry optimisation calculation I will like to know what are the differents parameters that have to be check during such a calculation and what are the tipicals values they can have Thanks

  • Posted a comment on discussion Elk Users on Elk

    Hello dear all. I just discover the existence of EFIELDC tag but there is no way to know the unit of the corresponding field. I will like to known how much 1 EFIELDC is in V/m Thank

  • Modified a comment on discussion Elk Developers on Elk

    Hello I have a question about W90 i have heard about many days ago. I will like to use it and got the Wannier center. May somebody can give me a brief introduction on what it is or just send me a pdf i can read to know more about and use it as well as possible. I fact i will like to use it but still now i make some research on google and don't fine a way to start to learn it. I need help Thanks

  • Modified a comment on discussion Elk Developers on Elk
  • Posted a comment on discussion Elk Developers on Elk

    I fact i will like to use it but still now i make some research on google and don't fine a way to start to learn it. I need help

  • Posted a comment on discussion Elk Developers on Elk

    Hello I have a question about W90 i have heard about many days ago. I will like to use it and got the Wannier center. May somebody can give me a brief introduction on what it is or just send me a pdf i can read to know more about and use it as well as possible. Thanks

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Username:
briceken
Joined:
2019-09-05 08:07:58

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