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Looking at Fe-pnictide crystals with ABINIT software

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JackMedley
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Jun25-11, 03:35 PM
P: n/a
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
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