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papers [2011/04/27 12:29] – tatepapers [2011/04/27 12:43] – tate
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 Calculate the dispersion relation and density of states (including partial DoS) for at least one material of your choice (except Si), using the Wien 2k software.  Demonstrate your creativity by one expansion of this basic assignment to achieve the highest possible grade.   Calculate the dispersion relation and density of states (including partial DoS) for at least one material of your choice (except Si), using the Wien 2k software.  Demonstrate your creativity by one expansion of this basic assignment to achieve the highest possible grade.  
  
-Write a **paper** that describes your findings.  It should state what you are trying to investigate and include some motivation for the choice of material.   This paper should distill the knowledge you have gained about electronic structure, and be well-constructed to be very helpful to an incoming PH575 student. It show evidence of your scientific curiosity.+Write a **paper** that describes your findings.  It should state what you are trying to investigate and include some motivation for the choice of material.   This paper should distill the knowledge you have gained about electronic structure, and be well-constructed to be very helpful to an incoming PH575 student. It will show evidence of your scientific curiosity, and your ability to explain the essential concepts.
  
 Summarize your results as a **poster** for the group to be shown in the hour reserved for MT2.  This is a conference of your peers, and may also be attended by interested parties such as former and prospective PH 575 students, and faculty. Summarize your results as a **poster** for the group to be shown in the hour reserved for MT2.  This is a conference of your peers, and may also be attended by interested parties such as former and prospective PH 575 students, and faculty.
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 === Collaboration or no? === === Collaboration or no? ===
-Teach each other to use Wien.  Share tips on how to use the software, just as you would in a lab to show someone how to use a piece of equipment.  This kind of collaboration is healthy.+Teach each other to use Wien.  Share tips on how to use the software, especially on how to get to the DoS and the E(k) plots.I do not want access to Wien to be a barrier. This just like being in a lab where you show someone how to use a tool.  This kind of collaboration is healthy. But don't do all thework for the other person.  In a lab, you show someone a tool and he or she decides what experiment to do with it. 
 + 
 +Talk to others to help point you to information, but don't let the other person do all the legwork for you, and likewise, don't do the legwork for others.
  
 Please do not perform the other person's calculation.  Help him or her with specific calculational problems, but don't define the goals of the assignment for the other person.  Please do not perform the other person's calculation.  Help him or her with specific calculational problems, but don't define the goals of the assignment for the other person. 
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 +Don't work together to construct your posters - the temptation to produce the same format is very strong.  This is your poster.  But tell each where to buy poster materials or how to get access to good printing etc.
  
 === Length, etc. === === Length, etc. ===
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 === Posters === === Posters ===
 You should not go to great expense to generate the posters; 8.5” by 11” sheets pasted to thin poster board will be fine. The total size is limited to about half the size of a whiteboard in WGR 304.  You should not go to great expense to generate the posters; 8.5” by 11” sheets pasted to thin poster board will be fine. The total size is limited to about half the size of a whiteboard in WGR 304. 
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 +You should use color - it makes a huge difference in crystal sructures, band structures, DoS plots etc.
    
 === Cautions === === Cautions ===

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