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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4

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+(c) 2017, Thomas Frauenheim, Universität Bremen
+All rights reserved
+
+This work is licensed under the Creative Commons Attribution-ShareAlike 4.0
+International License. To view a copy of this license, consult the LICENSE file
+or visit http://creativecommons.org/licenses/by-sa/4.0/ .
+
+NOTE: The rights holder(s) for this work explicitly require that the attribution
+conditions of this license are enforced. Use in part or in whole of this data is
+permitted only under the condition that the scientific background of the
+Licensed Material will be CITED IN ANY PUBLICATIONS ARISING FROM ITS USE. The
+required references are specified in this file and must be included in resulting works.
+
+
+Description
+-----------
+
+This set consists of mainly older Slater-Koster files with a focus on
+solid state systems [SiO,SiC]. The parameters might also
+be applicable for organic systems, but one usually would only expect a
+more qualitative accuracy. So use the "bio" set instead for bio molecules.
+
+The silicon parameters are good for silicon clusters (using a sp basis
+only) [Silicon], while the same parameters with d-orbitals on Si are
+used for silica.
+
+The fluorine parameters have been validated especially
+concerning the relative energetics of SiF_x and CF_x [Fluorine].
+
+The iron parameters have been applied to structural and magnetic
+properties of iron clusters [Iron], but should also give reasonable
+results for bcc bulk iron.
+
+Relevant Publications
+---------------------
+To many to give here one by one. In summary:
+
+- all publications since 1999 of the Frauenheim group dealing with SiC bulk, 
+  especially: Rauls, E. and Gutierrez, R. and Elsner, J. and Frauenheim, Th.,
+  Stoichiometric and Non-Stoichiometric (10-10) and (11-20) surfaces in 
+  {2H-SiC}: a theoretical study, Sol. State Comm., p. 459, vol. 111
+  (1999)
+- [SiO]: all publications of the Frauenheim group dealing with SiO polymorphs,
+  especially Koehler, C. and Hajnal, Z. and Deak, P. and Frauenheim,
+  Th. and Suhai, S.. Theoretical investigation of carbon defects and
+  diffusion in alpha-quartz. Phys. Rev. B, 64:085333, 2001.
+- [Silicon]: A. Sieck and Th. Frauenheim and K. A. Jackson
+  phys. stat. sol. (b), p. 537, year 2003, vol. 240
+- [Fluorine]: Koehler, C. and Frauenheim, T.. Molecular dynamics simulations of
+  CFx (x=2,3) molecules at Si3N4 and SiO2 surfaces. Surf. Sci., 600:453,
+  2006.
+- [Iron]: Koehler, C. and Seifert, G. and Frauenheim, T..
+  Density-Functional based calculations for Fe(n), (n<=32). Chem.
+  Phys., 309:23, 2005.
+
+Required references
+-------------------
+Si-Si: 	A. Sieck, PhD. Thesis, University of Paderborn, 2000.
+       	http://ubdata.uni-paderborn.de/ediss/06/2000/sieck/
+Si-O:   [SiO]
+F-*: 	[Fluorine]
+Fe-Fe:	[Iron]
+
+* stands for all available elements in this set
+