Looking at Fe-pnictide crystals with ABINIT software

  1. Hello,
    As part of my undergrad studies I'm trying to reproduce a few results of Fe-pnictide crystals. I have been given the option of using ABINIT, SPR-KKR or quantum espresso software packages; presently I have done alot of work using ABINIT. However at the moment I am having real difficulty setting up the input file for even the most basic Fe-pnictide structure, so if anyone could offer any help I would be very grateful.
    Jack M
  2. jcsd
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