I need everybody assistance to correct and modify this attached input file. I want to determine what will be the structure of the doped system and also to calculate ground state energy for various values of acell.
Thanks alot
-Bamgbose
input file for doping
Moderator: bguster
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BAMGBOSE, M. K.
- Posts: 87
- Joined: Mon Jul 02, 2012 1:40 pm
- Location: Department of Physics, Federal University of Agriculture Abeokuta, Nigeria.
input file for doping
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CaBaB6.in- (1.04 KiB) Downloaded 352 times
M. K. Bamgbose (PhD),
Condensed Matter Physics.
Condensed Matter Physics.
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Seba Darshan
- Posts: 63
- Joined: Mon Feb 17, 2014 5:19 am
Re: input file for doping
hai
I am trying to understand the effect of doping on nanomaterials.
I would like to know how you have introduced the dopant into the lattice.
Are there any specific variables for adding dopant atoms into the structure.
Can you please specify the dopant type and how you have written this code.
Regards
Seba
I am trying to understand the effect of doping on nanomaterials.
I would like to know how you have introduced the dopant into the lattice.
Are there any specific variables for adding dopant atoms into the structure.
Can you please specify the dopant type and how you have written this code.
Regards
Seba