Activity for miroiterie

  • miroiterie miroiterie posted a comment on discussion Elk Users

    Thanks Michael. It is helpful to me.

  • miroiterie miroiterie posted a comment on discussion Elk Users

    Hi, I am working on phonon and electron-phonon coupling calculation using DFPT on bcc metal. but I contiuously have phonon softening. I think it is due to that bcc phase is not a ground strucutre, but I am not sure. I also relaxed the structure to get local minimum, it did not work. Is there some way to indirectly describe phonon in finite temperature?? Thanks in advance! Woong Kee.

  • miroiterie miroiterie posted a comment on discussion Elk Users

    Thanks for response Markus!. Is it due to the electron degeneracy or other assumptions?...

  • miroiterie miroiterie posted a comment on discussion Elk Users

    Hi, I am working on electron-phonon (e-p) spectral function in semiconductor. This...

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