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bfieldc vs. bfcmt

Elk Users
2022-04-01
2022-04-01
  • zhaobo zhou

    zhaobo zhou - 2022-04-01

    Dear all Users and Developers,

    The Manual shows that one could set up an antiferromagnetic crystal by pointing the field on one atom in the
    positive z-direction and in the opposite direction on another atom. Meanwhile, If I set bfieldc as 0.0 0.0 0.1, this field is applied throughout the entire unit cell.
    For example, I want to calculated the antiferromagnetic crystal and set the bfcmt of atom A as 0.0 0.0 0.1 and atom B as 0.0 0.0 -0.1. In this case, should I also need to set the bfieldc as 0.0 0.0 0.1?

    Best regards,
    Zhaobo

     
  • Sangeeta Sharma

    Sangeeta Sharma - 2022-04-01

    You do not need to set bfieldc. Just set the bfcmt and that is it.

     
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    1
    • zhaobo zhou

      zhaobo zhou - 2022-04-01

      Dear Sangeeta,
      Thank you for your timely reply.

       

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