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papers [2019/03/04 13:46] – janettatepapers [2020/03/06 09:12] (current) – external edit 127.0.0.1
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 ===== Poster assignment ===== ===== Poster assignment =====
-Summarize your results as a poster to be shown during class (date will be posted on the main calendar of the course). This is a conference of your peers, and may also be attended by interested parties such as former and prospective PH575 students, and faculty. OSU Student Media Services, located in the Valley Library, print posters for free if it is a class assignment. A typical poster size is 3 feet wide, 3.5 - 4 feet tall. Text and diagrams should explain your calculations, and provide other information about your material. During the poster session, you'll stay with your poster for 50% of the time, and circulate around other posters for 50% of the time.+Summarize your results as a poster to be shown during class (date will be posted on the main calendar of the course). This is a conference of your peers, and may also be attended by interested parties such as former and prospective PH575 students, and faculty. 
 + 
 +OSU Student Media Services, located in the Valley Library, prints posters for free if it is a class assignment. A typical poster size is 3 feet wide, 3.5 - 4 feet tall. Text and diagrams should explain your calculations, and provide other information about your material. During the poster session, you'll stay with your poster for 50% of the time, and circulate around other posters for 50% of the time. 
 + 
 +Posters should be uncluttered, informative and visually appealing.  
 +  * Here's [[http://betterposters.blogspot.com/|advice]] from a strong proponent of this statement.  
 +  * Michael Alley has useful things to say about [[https://www.craftofscientificposters.com/|posters]] and about scientific writing.  
 +  * [[https://www.sigmapisigma.org/sigmapisigma/congress/2016/how-present-awesome-poster|Advice]] from the Society of Physics Students about presenting posters.
  
 ===== Paper assignment ===== ===== Paper assignment =====
  
-After the poster session, you will write a paper that describes your findings. The feedback you get from the poster should help you write a better paper.+After the poster session, you will turn in a paper that describes your findings (due date on main calendar).  You should prepare a draft of the paper as you make the poster. The feedback you get from the poster should help you improve your paper.
  
-General things I look for when grading the paper:+General things graders look for:
  
       * the paper distills the knowledge you have gained about electronic structure,       * the paper distills the knowledge you have gained about electronic structure,
-      * the paper would be helpful to an audience of incoming PH575 student (the instructor will put himself in the shoes of typical PH575 students when deciding if the paper is well written).+      * the paper would be helpful to an audience of incoming PH575 students.
       * the paper shows evidence of your scientific curiosity, and your ability to explain essential concepts.       * the paper shows evidence of your scientific curiosity, and your ability to explain essential concepts.
  
  
-Specific points I look for:+Specific things graders look for:
  
       * Good discussion of what your calculations show.       * Good discussion of what your calculations show.
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 Here are some ideas that might stimulate your creativity Here are some ideas that might stimulate your creativity
  
-  * explore another option within Wien of Flair+  * explore another option within OpenMX
   * pose a question that could be explored using this new tool   * pose a question that could be explored using this new tool
   * study a family of materials   * study a family of materials
-  * go beyond the standard "default clicks" in Wien to explore something you found interesting+  * go beyond the standard "default clicks" to explore something you found interesting
   * choose a more challenging material (not always recommended because this is often an all-or-nothing proposition).   * choose a more challenging material (not always recommended because this is often an all-or-nothing proposition).
  
 === Collaboration or no? === === Collaboration or no? ===
-Teach each other about how use the Wien and Flair basics.  Share tips on how to use the software, especially on how to get to the DoS and the //E(k)// plots. This just like being in a lab where you show someone how to use a piece of equipment.  This kind of collaboration is healthy, but don't do the work for the other person.  In a lab, you show someone a tool and he or she decides what experiment to do with it.+Teach each other about how use OpenMX basics.  Share tips on how to use the software, especially on how to get to the DoS and the //E(k)// plots. This just like being in a lab where you show someone how to use a piece of equipment.  This kind of collaboration is healthy, but don't do the work 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. 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.
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 Yes! Here is the advice from previous years. Yes! Here is the advice from previous years.
-Q. What is a CIF file+ 
 +Q. What is a CIF file?
  
 A. The Crystallographic Information File (CIF) is the standard for crystallographic data exchange prescribed by the International Union of Crystallography. It was described in a paper in Acta Cryst. (1991). A47, 655–685 by S. R. Hall, F. H. Allen and I. D. Brown. A. The Crystallographic Information File (CIF) is the standard for crystallographic data exchange prescribed by the International Union of Crystallography. It was described in a paper in Acta Cryst. (1991). A47, 655–685 by S. R. Hall, F. H. Allen and I. D. Brown.
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 Here is some of the text from a CIF file describing anatase TiO2: Here is some of the text from a CIF file describing anatase TiO2:
  
-_atom_site_label +''_atom_site_label'' 
-_atom_site_type_symbol + 
-_atom_site_fract_x +''_atom_site_type_symbol'' 
-_atom_site_fract_y + 
-_atom_site_fract_z +''_atom_site_fract_x'' 
-_atom_site_occupancy + 
-_atom_site_U_iso_or_equiv +''_atom_site_fract_y'' 
-Ti1 Ti+4 0 0 0 1 0.0 + 
-O1 O-2 0.2821 0.2821 0 1 0.0"+''_atom_site_fract_z'' 
 + 
 +''_atom_site_occupancy'' 
 + 
 +''_atom_site_U_iso_or_equiv'' 
 + 
 +''Ti1 Ti+4 0 0 0 1 0.0'' 
 + 
 +''O1 O-2 0.2821 0.2821 0 1 0.0''
  
 Translating the above code into english: “There is a Ti atom at (x,y,z) = (0,0,0) and an O atom at (0.2821a, 0.2821b, 0), where a and b are unit cell dimensions. Translating the above code into english: “There is a Ti atom at (x,y,z) = (0,0,0) and an O atom at (0.2821a, 0.2821b, 0), where a and b are unit cell dimensions.

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