La2/3Sr1/3MnO3 tetragonal
Posted: Mon Sep 28, 2015 8:06 am
Hi guys,
I need an input file for the tetragonal phase of La2/3Sr1/3MnO3,
I need an input file for the tetragonal phase of La2/3Sr1/3MnO3,
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La2/3Sr1/3MnO3 tetragonal
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Re: La2/3Sr1/3MnO3 tetragonal
Posted: Mon Sep 28, 2015 6:32 pm
ANY HELP PLEASE!!
Re: La2/3Sr1/3MnO3 tetragonal
Posted: Tue Sep 29, 2015 1:51 pm
Dear Hammouri,
Did you try to built an input for your system?
The deal is that you first try on your side and if you don't succeed we can see what are your problems with your system.
The tutorials are very helpfull to learn how to make an input for Abinit step by step, did you go through them first?
Cheers,
Eric
Did you try to built an input for your system?
The deal is that you first try on your side and if you don't succeed we can see what are your problems with your system.
The tutorials are very helpfull to learn how to make an input for Abinit step by step, did you go through them first?
Cheers,
Eric
Re: La2/3Sr1/3MnO3 tetragonal
Posted: Tue Sep 29, 2015 2:46 pm
you will have to model the disorder somehow, either with supercells or special quasirandom structures. This in itself is complex and requires much testing on large systems.