tools:tetr
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tools:tetr [2017/08/17 15:58] – created ggibb | tools:tetr [2017/08/18 08:37] – ibethune | ||
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- | ====== UCSF Chimera Plugins for Tetr and Lev00 ====== | + | ====== UCSF Chimera Plugins for TETR and LEV00 ====== |
- | [[http:// | + | [[http:// |
- | {{: | + | TETR assists with setting up a system geometry, for example, building supercell, merging geometries from different file formats (e.g. adding a molecule to an existing surface), constructing surfaces, and building molecular clusters. |
- | {{: | + | |
+ | LEV00 can calculate phonons and IR intensities (via Born charges), compute the electronic density of states, and visualise charge and spin densities. | ||
+ | |||
+ | The CP2K-UK project (EPSRC grant EP/ | ||
+ | |||
+ | |{{: | ||
+ | ^Placing molecules on a surface using TETR^ ^ Charge density 3D plot using LEV00 ^ |
tools/tetr.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1