Commit 0f2ffaf3 authored by Martin Kuban's avatar Martin Kuban Committed by Markus Scheidgen
Browse files

added extra-info text for similar materials

parent acd9e9b1
......@@ -591,6 +591,11 @@
"comment": "",
"text": "Threshold for stopping the self-consistent-field loop."
},
"similar materials": {
"comment": "",
"link": "https://en.wikipedia.org/wiki/Similarity_search",
"text": "Four materials of the Encyclopedia are shown, that are most similar to the current one in terms of the electronic density of states in the upper valence region. The used fingerprints are based on a modification to those suggested by <a href=\"https://pubs.acs.org/doi/abs/10.1021/cm503507h\" target=\"_blank2\">O. Isayev et al., Chem. Mater. 27 (2015), 735-743</a>. The similarity is measured by the Tanimoto coefficient <i>Tc</i>, which ranges between 0 (not similar) and 1 (identical)."
},
"smearing kind": {
"comment": "specification possible",
"text": "Smearing introduces a broadening of energy levels. This is done in order to obtain the electron density."
......
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