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--- tools:tetr [2017/08/17 15:58] – created ggibb
+++ tools:tetr [2020/08/21 10:15] (current) – external edit 127.0.0.1
@@ Line 1: / Line 1: @@
-====== UCSF Chimera Plugins for Tetr and Lev00 ======
+====== UCSF Chimera Plugins for TETR and LEV00 ======
-[[http://nms.kcl.ac.uk/lev.kantorovitch/codes/lev00/index.html|Tetr and Lev00]] are pre and post-processing tools respectively for DFT codes including CP2K. They were written by Lev Kantorovich at King's College London. Courtesy of the EPSRC grant EP/K038583/1 there now is a [[https://github.com/gpsgibb/tetr_lev00_Chimera_plugin|plugin]] that allows Tetr and Lev00 to run in [[http://www.rbvi.ucsf.edu/chimera/|UCSF Chimera]], a visualisation application for molecular structures. This plugin allows interactive visualisation of the systems being manipulated by Tetr/Lev00.
+[[http://nms.kcl.ac.uk/lev.kantorovitch/codes/lev00/index.html|Tetr and Lev00]] are pre and post-processing tools respectively for DFT codes including CP2K, written by Lev Kantorovich of King's College London.
-{{:tools:chimera_tetr.png?400|}}
+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.
-{{:tools:chimera_lev00.png?400|}}
+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/K038583/1) has developed a [[https://github.com/gpsgibb/tetr_lev00_Chimera_plugin|plugin]] that allows TETR and LEV00 to run coupled to [[http://www.rbvi.ucsf.edu/chimera/|UCSF Chimera]], a visualisation application for molecular structures. This plugin allows interactive visualisation of the systems being manipulated as well as atom selection (as input to TETR).
+|{{:tools:chimera_tetr.png?400|}}|  |{{:tools:chimera_lev00.png?400|}}|
+^Placing molecules on a surface using TETR^  ^ Charge density 3D plot using LEV00 ^