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papers [2019/03/04 14:04] – janettate | papers [2019/03/05 10:59] – janettate | ||
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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, | + | 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, | ||
+ | |||
+ | Posters should be uncluttered, | ||
===== 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 | + | After the poster session, you will turn in a paper that describes your findings. 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 | + | General things |
* the paper distills the knowledge you have gained about electronic structure, | * the paper distills the knowledge you have gained about electronic structure, | ||
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- | Specific | + | Specific |
* Good discussion of what your calculations show. | * Good discussion of what your calculations show. | ||
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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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'' | '' | ||
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'' | '' | ||
- | '' | + | |
- | _atom_site_fract_y | + | '' |
- | _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"'' | + | |
+ | '' | ||
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+ | '' | ||
+ | |||
+ | '' | ||
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+ | '' | ||
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. |