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documentation:tutorials:nio_ligand_field:start [2016/10/08 21:34]
Maurits W. Haverkort created
documentation:tutorials:nio_ligand_field:start [2018/03/20 11:04]
Maurits W. Haverkort
Line 1: Line 1:
 +====== NiO ligand field ======
 +This section shows several calculations of NiO in the ligand-field approximation. The substructure follows the same line as the tutorial on Crystal-field. Noticeable differences are in the example calculating partial excitations. For ligand field one can also the projection to different configurations.
 +This tutorial compares calculated spectra to experiment. In order to make the plots you need to download the experimental data. You can download them in a zip file here {{ :​documentation:​tutorials:​nio_crystal_field:​nio_data.zip |}}. Please unpack this file and make sure to have the folders NiO_Experiment and NiO_Radial in the same folder as you do the calculations. And as always, if used in a publication,​ please cite the original papers that published the data. 
 +===== Table of contents =====