MWF11-11:50 PM | OPL 107 | http://www.wfu.edu/~natalie/s11phy752/ |
Instructor: Natalie Holzwarth | Phone:758-5510 | Office:300 OPL | e-mail:natalie@wfu.edu |
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Continue reading Chap. 3 in Martin. The following problem will be due Fri, Jan. 21, 2011.
Continue reading Chap. 4 in Martin. The following problem will be due Mon, Jan. 24, 2011.
Continue reading Chap. 4 in Martin. The following problem will be due Wed, Jan. 26, 2011.
For this problem, you can will need to use the crystallography software program mercury which you can install on your laptop from the website http://www.ccdc.cam.ac.uk/products/mercury/ or you can use the installed version on the cluster which is available from the directory /home/natalie/ForPHY752/pgms/mercury_2.3/bin/mercury. You will also need to use the crystallagraphy data file in "cif" format 1010467.cif and you may also wish to refer to the published paper (which gives slightly different X-ray results) Li2SO4.1975.a13255.pdf . For sharing your visual results, you may email, print (try not to print with the black background), or save your results on your cluster account and give me read access.
Continue reading Chap. 4 in Martin. The following problem will be due Fri, Jan. 28, 2011.
Read Chapter 14 in Martin and also read through the literature papers on diamond and graphite given in the handouts and also available on the webpage http://www.wfu.edu/~natalie/s11phy752/lecturenote/.
Continue reading Chapter 14 in Martin. This homework is due February 2, 2011.
Continue reading Chapter 14 in Martin. This homework is due February 4, 2011.
Read beginning of Chapter 12 in Martin. This homework is due February 7, 2011.
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Read Chapter 16 in Martin. This homework is due February 21, 2011.
Read Chapters 16 and 17 in Martin. This homework is due February 28, 2011.
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>>> grep :ENE *scf
>>> ps2pdf 127970-8771.ps
Read Chapter 10 in Martin. This homework is due March 14, 2011 (Monday after spring break.)
Read Chapter 11 in Martin and the paper by Gonze, Stumpf, and Scheffler. This homework is due March 16, 2011
Read Chapter 11 in Martin and the paper by Peter Blöchl describing the PAW method. This homework, due March 18, 2011, has a choice of two problems (extra credit for doing both.