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| wien [2014/05/21 11:54] – daniel | wien [2020/03/06 09:12] (current) – external edit 127.0.0.1 |
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| | In previous years, we used Wien 2k rather than OpenMX to do the class DFT project. This old page is available because some of the FAQ are relevant, and there is some info about XCrysDen and unix that may be useful. |
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| ====== WIEN 2k Basic Instructions for PH575 students ====== | ====== WIEN 2k Basic Instructions for PH575 students ====== |
| Wien 2k is a commercial program that calculates dispersion relations, density of states, partial density of states, and other properties of crystalline solids. The program is named Wien 2k (pronounced "VEEN-2-kay") because it was developed by physicists in Vienna, Austria ("Vienna" is the English version of the German "Wien"), and the most recent modification of the program was in the year 2000. More information about the program is at the developers' website http://www.wien2k.at. | Wien 2k is a commercial program that calculates dispersion relations, density of states, partial density of states, and other properties of crystalline solids. The program is named Wien 2k (pronounced "VEEN-2-kay") because it was developed by physicists in Vienna, Austria ("Vienna" is the English version of the German "Wien"), and the most recent modification of the program was in the year 2000. More information about the program is at the developers' website http://www.wien2k.at. |
| * Also see {{:tutorial_fixed.pdf|Andrew Stickel's tutorial}}, which covers more details on setting up Wien on windows machines. He is a former student who really got into the program and many of the sub programs. | * Also see {{:tutorial_fixed.pdf|Andrew Stickel's tutorial}}, which covers more details on setting up Wien on windows machines. He is a former student who really got into the program and many of the sub programs. |
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| Prof. Guenter Schneider and I are also working to implement a more user-friendly interface using //flair//, the DFT code Dr. Schneider has written, and //gem//, a Python-based graphical interface. If you wish to be a guinea-pig for the flair/gem option, let me know **Flair/gem option not in 2014**. | Prof. Guenter Schneider and I are also working to implement a more user-friendly interface using //flair//, the DFT code Dr. Schneider has written, and //gem//, a Python-based graphical interface. |
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| ===== Computer Accounts ===== | ===== Computer Accounts ===== |
| **UNIX or Linux Users**: You don't need this section! | **UNIX or Linux Users**: You don't need this section! |
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| **Mac Users**: Newer Macs have Unix as part of their operating system. Run the ''Terminal'' program, which is in Applications/Utilities folder. If you want to run any program that needs the X-Window environment ([[:xcrysden|XCrySDen]] below), you must run X11, found in Applications/Utilities or you can download it for free from Apple. | **Mac Users**: Newer Macs have Unix as part of their operating system. Run the ''Terminal'' program, which is in Applications/Utilities folder. If you want to run any program that needs the X-Window environment (such as [[:xcrysden|XCrySDen]]), you must run X11, found in Applications/Utilities or you can download it for free from Apple. |
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| **PC Users**: Windows users can use either Cygwin-X or Putty. Cygwin-X can be downloaded at http://www.cygwin.com/install.html and putty.exe can be downloaded at http://www.chiark.greenend.org.uk/~sgtatham/putty/download.html. Cygwin-X and putty work with all versions of Windows. If you want to run XCrySDen with Wien2K, you have to use Cygwin-X. Cygwin-X installation is given in the [[:xcrysden|XCrySDen]] page. Be sure to load the package that has the ssh command. In the program menu, go to Cygwin-X -> Xwin Server. This should open up a "X-Terminal" program. | **PC Users**: Windows users can use either Cygwin-X or Putty. Cygwin-X can be downloaded at http://www.cygwin.com/install.html and putty.exe can be downloaded at http://www.chiark.greenend.org.uk/~sgtatham/putty/download.html. Cygwin-X and putty work with all versions of Windows. If you want to run XCrySDen with Wien2K, you have to use Cygwin-X. Cygwin-X installation is given in the [[:xcrysden|XCrySDen]] page. Be sure to load the package that has the ssh command. In the program menu, go to Cygwin-X -> Xwin Server. This should open up a "X-Terminal" program. |
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| If you are just running "w2web" it is recommended that you use Putty. It is simple and quick. If you are in Wngr 304, you will have to install Putty on your own account. It cannot be installed for all users at once. The file putty.exe takes only a few seconds to download. Next run putty.exe and a window labeled "PuTTY Configuration" should appear. In the bar that says "Host Name (or IP address)", enter "ph575_nn@wien-server.physics.oregonstate.edu" Below this bar is an option SSH that is already checked and that is why you do not have to enter it. | If you are just running ''w2web'' it is recommended that you use Putty. It is simple and quick. If you are in Wngr 304, you will have to install Putty on your own account. It cannot be installed for all users at once. The file putty.exe takes only a few seconds to download. Next run putty.exe and a window labeled "PuTTY Configuration" should appear. In the bar that says "Host Name (or IP address)", enter ''ph575_nn@wien-server.physics.oregonstate.edu'' Below this bar is an option SSH that is already checked and that is why you do not have to enter it. |
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| **All users**: | **All users**: |
