Dear Friends,
I am new to ABINIT and am really struggling to understand how to add desired number of atoms or making a supercell in ABINIT. Also it becomes complicated if I wish to study doping effects of Graphene. I just fail to visualize how should I make the input file.
I would be grateful to all for any help in this regard. Could anyone make a Graphene input file for a Grapheneof size 10 x 10 Angs? And another file by replacing a Carbon atom with another atom, like Boron.
Please help me understand adding a supercell or a lattice to ABINIT i/p file. I have fairely understood the commands but I am unable to put the same into practise.
Help needed in making a Graphene input file...
Moderator: bguster
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schopra1980
- Posts: 13
- Joined: Mon Jan 13, 2014 7:41 am
Help needed in making a Graphene input file...
Dr. Siddheshwar chopra,
M.Sc., Ph.D (Physics)
Assistant Professor (Physics),
Amity University, Noida, India.
M.Sc., Ph.D (Physics)
Assistant Professor (Physics),
Amity University, Noida, India.
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kazem.manzoor
- Posts: 11
- Joined: Wed Oct 30, 2013 6:40 am
- Location: Dept. of Physics, kharazmi University