added README

README.md

-# Repo Description:
-To archive python notbooks and data files needed for master thesis plotting and tools.
-Also some files, e.g. combined_two_singel_impurity_wc.ipynb, Del_and_Cln_node.ipynb are needed to rum double impurity calculations, and to delete process node and clean the potential and retrieved data of kkr calculations, had been used as tools.

README.org

+# # In Emacs org-mode: before exporting, comment this out START
+# ;; Local Variables:
+# ;; ispell-check-comments: exclusive
+# ;; ispell-local-dictionary: "english"
+# ;; End:
+# # In Emacs org-mode: before exporting, comment this out FINISH
+
+# Org-mode Export LaTeX Customization Notes:
+# - Interpret 'bla_bla' as LaTeX Math bla subscript bla: #+OPTIONS ^:t. Interpret literally bla_bla: ^:nil.
+# - org export: turn off heading -> section numbering: #+OPTIONS: num:nil
+# - org export: change list numbering to alphabetical, sources:
+#   - https://orgmode.org/manual/Plain-lists-in-LaTeX-export.html
+#   - https://tex.stackexchange.com/a/129960
+#   - must be inserted before each list:
+#     #+ATTR_LATEX: :environment enumerate
+#     #+ATTR_LATEX: :options [label=\alph*)]
+# - allow org to recognize alphabetical lists a)...: M-x customize-variable org-list-allow-alphabetical
+
+
+# -----------------------
+# General Export Options:
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+#+OPTIONS: broken-links:nil c:nil creator:nil d:(not "LOGBOOK") date:t e:t
+#+OPTIONS: f:t inline:t p:nil pri:nil prop:nil stat:t tags:t
+#+OPTIONS: tasks:t tex:t timestamp:t title:t todo:t |:t
+
+#+OPTIONS: author:Johannes Wasmer
+#+OPTIONS: email:johannes.wasmer@gmail.com
+
+#+OPTIONS: num:nil
+# t or nil: disable export latex section numbering for org headings
+#+OPTIONS: toc:t
+# t or nil: no table of contents (doesn't work if num:nil)
+
+#+TITLE: README
+#+DATE: <2022-06-10 Fri>
+#+AUTHOR: Johannes Wasmer
+# #+EMAIL: johannes.wasmer@gmail.com
+#+LANGUAGE: en
+#+SELECT_TAGS: export
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+#+CREATOR: Emacs 25.2.2 (Org mode 9.1.13)
+
+# ---------------------
+# LaTeX Export Options:
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+#+LATEX_CLASS_OPTIONS:
+#+LATEX_HEADER: \usepackage[english]{babel}
+#+LATEX_HEADER: \usepackage[top=0.5in,bottom=0.5in,left=1in,right=1in,includeheadfoot]{geometry} % wider page; load BEFORE fancyhdr
+#+LATEX_HEADER: \usepackage[inline]{enumitem} % for customization of itemize, enumerate envs
+#+LATEX_HEADER: \usepackage{color}
+#+LATEX_HEADER:
+#+LATEX_HEADER_EXTRA:
+#+DESCRIPTION:
+#+KEYWORDS:
+#+SUBTITLE:
+#+LATEX_COMPILER: pdflatex
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+# - local:
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+#   - emacs dotfile > =JW 220419 org-mode headlines CUSTOM_ID=
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+# --------------------
+# Agenda Config.
+# Notes:
+# - tags:
+#   - :TOC: automatic table of contents generation via https://github.com/snosov1/toc-org.
+#     (Note: this is for org/markdown etc. For latex/html export, prefer #+OPTIONS: toc:t.)
+#+TODO: DOING(1) NEXT(2) TODO(3) WAITING(4) POSTPONED(5) SHELVED(6) | DONE(0) ABANDONED(9)
+#+TAGS: URGENT(0) PRIO1(1) PRIO2(2) PRIO3(3) ADMIN(a) CODING(c) WRITING(w) TOC(t)
+#+ARCHIVE: _archive.org::
+
+* [[file:notes/Mozumders-Dimer-Database_Notes.org][Mozumders-Dimer-Database_Notes]]
+:PROPERTIES:
+:CUSTOM_ID: h-ccb891e6-c4d4-4cda-ab64-b3c1ea9f8afb
+:END:
+
+* COMMENT mozumder's original README content
+:PROPERTIES:
+:CUSTOM_ID: h-02eba1a8-af80-4b05-a0ab-493403770e96
+:END:
+
+>
+> Repo Description:
+>
+> To archive python notbooks and data files needed for master thesis plotting
+> and tools. Also some files, e.g. combined_two_singel_impurity_wc.ipynb,
+> Del_and_Cln_node.ipynb are needed to rum double impurity calculations, and to
+> delete process node and clean the potential and retrieved data of kkr
+> calculations, had been used as tools.
+>