diff --git a/.config.org b/.config.org
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index 0000000000000000000000000000000000000000..209d041964b2b739d4113197eb0e46aaaac39bfd
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+# ################################################################################
+# ################################################################################
+# Description: org config to be shared across different org files.
+#
+# Usage: Place this in your org file header.
+#
+# #+SETUPFILE: ../.config.org
+# #+TITLE: Your title
+# #+SUBTITLE:
+# #+DATE: <2023-03-08 Wed>
+# #+ARCHIVE: your-filename_archive.org::
+# #+OPTIONS: audo-id:t
+#
+# ################################################################################
+#
+# Side notes.
+# ##########
+#
+#
+# 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
+#
+#
+#
+# # 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
+# ################################################################################
+# ################################################################################
+
+
+
+# -----------------------
+# General Export Options:
+#+OPTIONS: ^:nil ':nil *:t -:t ::t <:t H:3 \n:nil arch:headline
+#+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
+#+AUTHOR: Johannes Wasmer
+# #+EMAIL: johannes.wasmer@gmail.com
+#+LANGUAGE: en
+#+SELECT_TAGS: export
+#+EXCLUDE_TAGS: noexport
+#+CREATOR: Emacs 28.2 (Org mode 9.6.1)
+
+
+# for org for web (eg gitlab, github): num:nil, toc:nil. using custom Table of Contents below.
+# for tex/pdf export, temporarily: num:t, toc:t. replace * Table of Contents -> * COMMENT Table of Contents.
+#+OPTIONS: num:nil
+# t or nil: disable export latex section numbering for org headings
+#+OPTIONS: toc:nil
+# t or nil: no table of contents (doesn't work if num:nil)
+
+# ---------------------
+# LaTeX Export Options:
+#+LATEX_CLASS: article
+#+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: \usepackage{bm} % bold math. prefer \bm over \mathbf. also works with Greek symbols.
+#+LATEX_HEADER: \usepackage{mathtools}
+#+LATEX_HEADER: \usepackage{amsmath}
+#+LATEX_HEADER: \usepackage{siunitx} % SI units
+# #+LATEX_HEADER: \usepackage{mchem} % chemical formulae % commented out, crashed org-latex-preview 2023-09-24
+#+LATEX_HEADER: \usepackage{braket} % dirac braket notation, prefer over physics package https://tex.stackexchange.com/a/214731
+#+LATEX_HEADER: % override 'too deeply nested error'
+#+LATEX_HEADER: % reference: https://stackoverflow.com/a/13120787
+#+LATEX_HEADER: \usepackage{unicode-math}
+#+LATEX_HEADER: % unicode-math for math double prime etc. ref. https://tex.stackexchange.com/a/210300
+#+LATEX_HEADER: % note: unicode-math only works with unicode-LaTeX compiler (XeTeX, LuaTeX), pdflatex won't work.
+#+LATEX_HEADER: \usepackage{enumitem}
+#+LATEX_HEADER: \setlistdepth{9}
+#+LATEX_HEADER: \setlist[itemize,1]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,2]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,3]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,4]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,5]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,6]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,7]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,8]{label=$\bullet$}
+#+LATEX_HEADER: \setlist[itemize,9]{label=$\bullet$}
+#+LATEX_HEADER: \renewlist{itemize}{itemize}{9}
+#+LATEX_HEADER:
+#+LATEX_HEADER_EXTRA:
+#+DESCRIPTION:
+#+KEYWORDS:
+#+LATEX_COMPILER: pdflatex
+
+# auto-id: get export-safe org-mode headline IDs
+# References:
+# - web: https://writequit.org/articles/emacs-org-mode-generate-ids.html
+# - local:
+#   - Emacs Config Notes > get export-safe org-mode headline IDs
+#   - emacs dotfile > =JW 220419 org-mode headlines CUSTOM_ID=
+# Notes:
+# - this property is not inherited through #+SETUPFILE: ...
+#+OPTIONS: auto-id:t
+
+# --------------------
+# 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 keywords default.
+#+TODO: TODO(1) NEXT(2) DOING(3) WAITING(4) ONHOLD(5) POSTPONED(6) SHELVED(7) | DONE(0) MOVED(8) ABANDONED(9) FAIL
+
+# # Tags default.
+# #+TAGS: URGENT(0) PRIO1(1) PRIO2(2) PRIO3(3) ADMIN(a) CODING(c) WRITING(w) TOC(t)
+
+# Tags phd-project-wasmer main
+#+TAGS: [ org : TOC(t) ]
+#+TAGS: [ project : wasmer judft collab rse ]
+#+TAGS: [ wasmer : theo data code rep ops doc mgmt side ]
+#+TAGS: [ theo : phys dft aml ml ]
+#+TAGS: [ data : sidb(1) didb(2) aii ]
+#+TAGS: [ code : jij(3) vimp(4) dsm(5) ]
+#+TAGS: [ ops : pack man it ]
+#+TAGS: [ doc : notes(6) pres(7) prom pub(8) ref dsm(9) ]
+#+TAGS: [ judft : jutools kkr spirit fleur masci iffaii ]
+#+TAGS: [ collab : pis tip aidas casus cosmo daemon tcd contact ]
+#+TAGS: [ admin : pgi helm fzj rwth fund ]
+#+TAGS: [ pgi : office teach ]
+#+TAGS: [ event : meet conf sem tut ]
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 0000000000000000000000000000000000000000..2daba2284e8ef42af5e37649a07c4adc61bc1f08
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,316 @@
+# # put this line in comment when presentation is finished
+# # (no need to clutter repo history with intermediate slides PDFs)
+# **/presentation.pdf
+
+# emacs gitignore (_region_: auctex preview files)
+*.el
+_region_*
+
+# emacs org-mode latex preview tmp folder
+ltximg
+
+# MacOS files
+.DS_Store
+
+########################################################################
+########################################################################
+########################################################################
+
+# TeX Gitignore from https://github.com/github/gitignore/blob/master/TeX.gitignore.
+# Adapted slightly to this template, marked with # CHANGED.
+
+## Core latex/pdflatex auxiliary files:
+*.aux
+*.lof
+*.log
+*.lot
+*.fls
+*.out
+*.toc
+*.fmt
+*.fot
+*.cb
+*.cb2
+.*.lb
+
+## Intermediate documents:
+*.dvi
+*.xdv
+*-converted-to.*
+# these rules might exclude image files for figures etc.
+# *.ps
+# *.eps
+# *.pdf
+
+## Generated if empty string is given at "Please type another file name for output:"
+# CHANGED: do not ignore pdf
+# .pdf
+
+## Bibliography auxiliary files (bibtex/biblatex/biber):
+*.bbl
+*.bcf
+*.blg
+*-blx.aux
+*-blx.bib
+*.run.xml
+
+## Build tool auxiliary files:
+*.fdb_latexmk
+*.synctex
+*.synctex(busy)
+*.synctex.gz
+*.synctex.gz(busy)
+*.pdfsync
+
+## Build tool directories for auxiliary files
+# latexrun
+latex.out/
+
+## Auxiliary and intermediate files from other packages:
+# algorithms
+*.alg
+*.loa
+
+# achemso
+acs-*.bib
+
+# amsthm
+*.thm
+
+# beamer
+*.nav
+*.pre
+*.snm
+*.vrb
+
+# changes
+*.soc
+
+# comment
+*.cut
+
+# cprotect
+*.cpt
+
+# elsarticle (documentclass of Elsevier journals)
+*.spl
+
+# endnotes
+*.ent
+
+# fixme
+*.lox
+
+# feynmf/feynmp
+*.mf
+*.mp
+*.t[1-9]
+*.t[1-9][0-9]
+*.tfm
+
+#(r)(e)ledmac/(r)(e)ledpar
+*.end
+*.?end
+*.[1-9]
+*.[1-9][0-9]
+*.[1-9][0-9][0-9]
+*.[1-9]R
+*.[1-9][0-9]R
+*.[1-9][0-9][0-9]R
+*.eledsec[1-9]
+*.eledsec[1-9]R
+*.eledsec[1-9][0-9]
+*.eledsec[1-9][0-9]R
+*.eledsec[1-9][0-9][0-9]
+*.eledsec[1-9][0-9][0-9]R
+
+# glossaries
+# CHANGED: do not ignore some of the glossary files. will build locally,
+# then push to gitlab, and sharelatex will build from that. but
+# sharelatex probably can't build glossary files. so will give it the
+# readymade glossary auxialliary files from local build, then it should
+# work.
+*.acn
+*.acr
+# *.glg
+# *.glo
+# *.gls
+*.glsdefs
+*.lzo
+*.lzs
+
+# uncomment this for glossaries-extra (will ignore makeindex's style files!)
+# *.ist
+
+# gnuplottex
+*-gnuplottex-*
+
+# gregoriotex
+*.gaux
+*.glog
+*.gtex
+
+# htlatex
+*.4ct
+*.4tc
+*.idv
+*.lg
+*.trc
+*.xref
+
+# hyperref
+*.brf
+
+# knitr
+*-concordance.tex
+# TODO Uncomment the next line if you use knitr and want to ignore its generated tikz files
+# *.tikz
+*-tikzDictionary
+
+# listings
+*.lol
+
+# luatexja-ruby
+*.ltjruby
+
+# makeidx
+*.idx
+*.ilg
+*.ind
+
+# minitoc
+*.maf
+*.mlf
+*.mlt
+*.mtc[0-9]*
+*.slf[0-9]*
+*.slt[0-9]*
+*.stc[0-9]*
+
+# minted
+_minted*
+*.pyg
+
+# morewrites
+*.mw
+
+# newpax
+*.newpax
+
+# nomencl
+*.nlg
+*.nlo
+*.nls
+
+# pax
+*.pax
+
+# pdfpcnotes
+# *.pdfpc
+
+# sagetex
+*.sagetex.sage
+*.sagetex.py
+*.sagetex.scmd
+
+# scrwfile
+*.wrt
+
+# sympy
+*.sout
+*.sympy
+sympy-plots-for-*.tex/
+
+# pdfcomment
+*.upa
+*.upb
+
+# pythontex
+*.pytxcode
+pythontex-files-*/
+
+# tcolorbox
+*.listing
+
+# thmtools
+*.loe
+
+# TikZ & PGF
+*.dpth
+*.md5
+*.auxlock
+
+# todonotes
+*.tdo
+
+# vhistory
+*.hst
+*.ver
+
+# easy-todo
+*.lod
+
+# xcolor
+*.xcp
+
+# xmpincl
+*.xmpi
+
+# xindy
+# CHANGED: do not ignore xindy files. reason, see glossaries.
+# *.xdy
+
+# xypic precompiled matrices and outlines
+*.xyc
+*.xyd
+
+# endfloat
+*.ttt
+*.fff
+
+# Latexian
+TSWLatexianTemp*
+
+## Editors:
+# WinEdt
+*.bak
+*.sav
+
+# Texpad
+.texpadtmp
+
+# LyX
+*.lyx~
+
+# Kile
+*.backup
+
+# gummi
+.*.swp
+
+# KBibTeX
+*~[0-9]*
+
+# TeXnicCenter
+*.tps
+
+# auto folder when using emacs and auctex
+./auto/*
+*.el
+
+# expex forward references with \gathertags
+*-tags.tex
+
+# standalone packages
+*.sta
+
+# Makeindex log files
+*.lpz
+
+# xwatermark package
+*.xwm
+
+# REVTeX puts footnotes in the bibliography by default, unless the nofootinbib
+# option is specified. Footnotes are the stored in a file with suffix Notes.bib.
+# Uncomment the next line to have this generated file ignored.
+#*Notes.bib